Chemical Name: Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (4R)-
IUPAC Name: (4R)-1-methyl-4-(1-methylethenyl)cyclohexene
CAS RN: 5989-27-5
Description: single chemical compound
STRUCTURE Formula: C10H16
Molecular Weight: 136.234
SMILES: CC(=C)[C@@H]1CCC(=CC1)C
Note: stereochem
Chemical Name: Glycine, N-(carboxymethyl)-N-(phosphonomethyl)-
IUPAC Name: 2,2'-[(phosphonomethyl)imino]diacetic acid
CAS RN: 5994-61-6
Description: single chemical compound
STRUCTURE Formula: C5H10NO7P
Molecular Weight: 227.1092
SMILES: O=C(CN(CP(O)(O)=O)CC(O)=O)O
Note:
Chemical Name: Phosphonic acid, [[(2-hydroxyethyl)imino]bis(methylene)]bis-
IUPAC Name: {[(2-hydroxyethyl)imino]bis(methylene)}bis(phosphonic acid)
CAS RN: 5995-42-6
Description: single chemical compound
STRUCTURE Formula: C4H13NO7P2
Molecular Weight: 249.096
SMILES: O=P(O)(CN(CP(O)(O)=O)CCO)O
Note:
Chemical Name: 2-Pentanol, 4-methyl-, hydrogen phosphorodithioate
IUPAC Name: O,O-bis(1,3-dimethylbutyl) hydrogen dithiophosphate
CAS RN: 6028-47-3
Description: single chemical compound
STRUCTURE Formula: C12H27O2PS2
Molecular Weight: 298.4453
SMILES: SP(OC(C)CC(C)C)(OC(C)CC(C)C)=S
Note:
Chemical Name: Urea, N,N''-(2-methylpropylidene)bis-
IUPAC Name: N,N''-(2-methylpropane-1,1-diyl)diurea
CAS RN: 6104-30-9
Description: single chemical compound
STRUCTURE Formula: C6H14N4O2
Molecular Weight: 174.201
SMILES: O=C(N)NC(C(C)C)NC(N)=O
Note:
Chemical Name: 1-Propanol, 2-chloro-, phosphate (3:1)
IUPAC Name: tris(2-chloropropyl) phosphate
CAS RN: 6145-73-9
Description: single chemical compound
STRUCTURE Formula: C9H18Cl3O4P
Molecular Weight: 327.5696
SMILES: O=P(OCC(Cl)C)(OCC(Cl)C)OCC(Cl)C
Note:
Chemical Name: Benzene, 1,2-dimethyl-4-(1-phenylethyl)-
IUPAC Name: 1,2-dimethyl-4-(1-phenylethyl)benzene
CAS RN: 6196-95-8
Description: single chemical compound
STRUCTURE Formula: C16H18
Molecular Weight: 210.3141
SMILES: CC(C2=CC=CC=C2)C1=CC=C(C)C(C)=C1
Note:
Chemical Name: 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester
IUPAC Name: dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
CAS RN: 6289-46-9
Description: single chemical compound
STRUCTURE Formula: C10H12O6
Molecular Weight: 228.1987
SMILES: O=C(OC)C(C1)C(CC(C(OC)=O)C1=O)=O
Note: tautomers
Chemical Name: Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester
IUPAC Name: bis(2-chloroethyl) (2-chloroethyl)phosphonate
CAS RN: 6294-34-4
Description: single chemical compound
STRUCTURE Formula: C6H12Cl3O3P
Molecular Weight: 269.4904
SMILES: O=P(OCCCl)(CCCl)OCCCl
Note:
Chemical Name: Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenyl-
IUPAC Name: 2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)di(E)diazene-2,1-diyl]bis(3-oxo-N-phenylbutanamide)
CAS RN: 6358-85-6
Description: single chemical compound
STRUCTURE Formula: C32H26Cl2N6O4
Molecular Weight: 629.4926
SMILES: C1=CC=C(NC(=O)C(/N=N/C2=C(Cl)C=C(C3=CC(Cl)=C(/N=N/C(C(=O)NC4=CC=CC=C4)C(=O)C)C=C3)C=C2)C(=O)C)C=C1
Note: C.I. 21090, tautomers
Chemical Name: Acetamide, N-(3-amino-4-methoxyphenyl)-
IUPAC Name: N-(3-amino-4-methoxyphenyl)acetamide
CAS RN: 6375-47-9
Description: single chemical compound
STRUCTURE Formula: C9H12N2O2
Molecular Weight: 180.2038
SMILES: O=C(C)NC1=CC(N)=C(OC)C=C1
Note:
Chemical Name: 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, ammonium salt
IUPAC Name: ammonium 3-oxo-3H-1,2-benzisothiazol-2-ide 1,1-dioxide
CAS RN: 6381-61-9
Description: single chemical compound
STRUCTURE Formula: C7H8N2O3S
Molecular Weight: 200.215
SMILES: O=C(C2=C1C=CC=C2)[N-]S1(=O)=O.[NH4+]
Note: parent [81-07-2]
Chemical Name: D-erythro-Hex-2-enonic acid, .gamma.-lactone, monosodium salt
IUPAC Name: sodium (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl]-2-hydroxyethanolate
CAS RN: 6381-77-7
Description: single chemical compound
STRUCTURE Formula: C6H7NaO6
Molecular Weight: 198.106
SMILES: OC1(=C(O)C(=O)O[C@H]1[C@@H](C[O-])O).[Na+]
Note: stereochem; parent [89-65-6]
Chemical Name: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester
IUPAC Name: methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
CAS RN: 6386-38-5
Description: single chemical compound
STRUCTURE Formula: C18H28O3
Molecular Weight: 292.4131
SMILES: O=C(OC)CCC1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1
Note:
Chemical Name: Phosphonic acid, [nitrilotris(methylene)]tris-
IUPAC Name: [nitrilotris(methylene)]tris(phosphonic acid)
CAS RN: 6419-19-8
Description: single chemical compound
STRUCTURE Formula: C3H12NO9P3
Molecular Weight: 299.05
SMILES: O=P(O)(CN(CP(O)(O)=O)CP(O)(O)=O)O
Note:
Chemical Name: 1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester
IUPAC Name: bis(2-ethylhexyl) terephthalate
CAS RN: 6422-86-2
Description: single chemical compound
STRUCTURE Formula: C24H38O4
Molecular Weight: 390.5561
SMILES: O=C(OCC(CC)CCCC)C1=CC=C(C(OCC(CC)CCCC)=O)C=C1
Note:
Chemical Name: Decanedioic acid, compd. with 1,6-hexanediamine (1:1)
IUPAC Name: decanedioic acid - hexane-1,6-diamine (1:1)
CAS RN: 6422-99-7
Description: single chemical compound
STRUCTURE Formula: C16H34N2O4
Molecular Weight: 318.4522
SMILES: O=C(CCCCCCCCC(O)=O)O.NCCCCCCN
Note: parent [111-20-6]
Chemical Name: 1,2-Propanediol, dinitrate
IUPAC Name: propane-1,2-diyl dinitrate
CAS RN: 6423-43-4
Description: single chemical compound
STRUCTURE Formula: C3H6N2O6
Molecular Weight: 166.0895
SMILES: [O-][N+](OCC(O[N+]([O-])=O)C)=O
Note:
Chemical Name: Benzenesulfonic acid, 4-amino-5-methoxy-2-methyl-
IUPAC Name: 4-amino-5-methoxy-2-methylbenzenesulfonic acid
CAS RN: 6471-78-9
Description: single chemical compound
STRUCTURE Formula: C8H11NO4S
Molecular Weight: 217.2422
SMILES: O=S(C1=CC(OC)=C(N)C=C1C)(O)=O
Note:
Chemical Name: 2-Naphthalenesulfonic acid, 6-[(2,4-diaminophenyl)azo]-3-[[4-[[4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]phenyl]amino]-3-sulfophenyl]azo]-4-hydroxy-, trisodium salt
IUPAC Name: trisodium 6-[(E)-(2,4-diaminophenyl)diazenyl]-3-{(E)-[4-({4-[(E)-{7-[(E)-(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl]phenyl}amino)-3-sulfonatophenyl]diazenyl}-4-hydroxynaphthalene-2-sulfonate
CAS RN: 6473-13-8
Description: single chemical compound
STRUCTURE Formula: C44H32N13Na3O11S3
Molecular Weight: 1083.9697
SMILES: O=S(C2=CC1=C(C(O)=C2/N=N/C3=CC(S(=O)([O-])=O)=C(NC5=CC=C(/N=N/C7=C(O)C6=C(C=C7S(=O)([O-])=O)C=CC(/N=N/C8=C(N)C=C(N)C=C8)=C6)C=C5)C=C3)C=C(/N=N/C4=C(N)C=C(N)C=C4)C=C1)([O-])=O.[Na+].[Na+].[Na+]
Note: C.I. 35435
Chemical Name: Aluminum, tridocosyl-
IUPAC Name: tridocosylaluminum
CAS RN: 6651-25-8
Description: single chemical compound
STRUCTURE Formula: C66H135Al
Molecular Weight: 955.7596
SMILES: CCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC
Note:
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