Chemical Name: Acetamide, N-(4-methoxy-3-nitrophenyl)-
IUPAC Name: N-(4-methoxy-3-nitrophenyl)acetamide
CAS RN: 50651-39-3
Description: single chemical compound
STRUCTURE Formula: C9H10N2O4
Molecular Weight: 210.1867
SMILES: O=C(C)NC1=CC([N+]([O-])=O)=C(OC)C=C1
Note:
Chemical Name: Butanedioic acid, 2,3-dihydroxy-, disodium salt, (2R,3R)-rel-
IUPAC Name: disodium (2R,3R)-2,3-dihydroxysuccinate
CAS RN: 51307-92-7
Description: single chemical compound
STRUCTURE Formula: C4H4Na2O6
Molecular Weight: 194.0505
SMILES: O=C([O-])[C@H](O)[C@@H](O)C([O-])=O.[Na+].[Na+]
Note: stereochem, parent [87-69-4]
Chemical Name: Benzene, 1-(bromomethyl)-3-phenoxy-
IUPAC Name: 1-(bromomethyl)-3-phenoxybenzene
CAS RN: 51632-16-7
Description: single chemical compound
STRUCTURE Formula: C13H11BrO
Molecular Weight: 263.1298
SMILES: BrCC1=CC=CC(OC2=CC=CC=C2)=C1
Note:
Chemical Name: Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-, phosphate
IUPAC Name: 2-(2-nonylphenoxy)ethanol - phosphoric acid (1:1)
CAS RN: 51811-79-1
Description: macromolecule
STRUCTURE Formula: C17H31O6P
Molecular Weight: 362.3982
SMILES: OCCOC1=C(CCCCCCCCC)C=CC=C1.OP(O)(O)=O
Note: replicate parent
Chemical Name: Phenol, 2,5-dichloro-, sodium salt
IUPAC Name: sodium 2,5-dichlorophenolate
CAS RN: 52166-72-0
Description: single chemical compound
STRUCTURE Formula: C6H3Cl2NaO
Molecular Weight: 184.9832
SMILES: [O-]C1=C(Cl)C=CC(Cl)=C1.[Na+]
Note: parent [583-78-8]
Chemical Name: Phenol, 2,4-bis(1,1-dimethylpropyl)-6-[(2-nitrophenyl)azo]-
IUPAC Name: 2,4-bis(1,1-dimethylpropyl)-6-[(E)-(2-nitrophenyl)diazenyl]phenol
CAS RN: 52184-19-7
Description: single chemical compound
STRUCTURE Formula: C22H29N3O3
Molecular Weight: 383.484
SMILES: OC1=C(C(C)(C)CC)C=C(C(C)(C)CC)C=C1/N=N/C2=C([N+]([O-])=O)C=CC=C2
Note:
Chemical Name: Neodecanoic acid, cobalt(2+) salt
IUPAC Name: cobalt(2+) bis(2-ethyl-2,5-dimethylhexanoate)
CAS RN: 52270-44-7
Description: mixture or formulation
STRUCTURE Formula: C20H38CoO4
Molecular Weight: 401.4465
SMILES: O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Co+2]
Note: mixture of decanyl isomers, structure shown 2-ethyl-2,5-dimethylhexanoic
Chemical Name: Cyclopropanecarbonyl chloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl-
IUPAC Name: 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride
CAS RN: 52314-67-7
Description: single chemical compound
STRUCTURE Formula: C8H9Cl3O
Molecular Weight: 227.5155
SMILES: ClC(C1C(C)(C)C1/C=C(Cl)/Cl)=O
Note:
Chemical Name: 1-Propanesulfonic acid, 2-hydroxy-3-(2-propenyloxy)-, monosodium salt
IUPAC Name: sodium 3-(allyloxy)-2-hydroxypropane-1-sulfonate
CAS RN: 52556-42-0
Description: single chemical compound
STRUCTURE Formula: C6H11NaO5S
Molecular Weight: 218.2033
SMILES: [O-]S(CC(O)COCC=C)(=O)=O.[Na+]
Note:
Chemical Name: Ethanol, 2-butoxy-, sodium salt
IUPAC Name: sodium 2-butoxyethanolate
CAS RN: 52663-57-7
Description: single chemical compound
STRUCTURE Formula: C6H13NaO2
Molecular Weight: 140.156
SMILES: [O-]CCOCCCC.[Na+]
Note: parent [111-76-2]
Chemical Name: Decanedioic acid, bis(2,2,6,6-tetramethyl-4-piperidinyl) ester
IUPAC Name: bis(2,2,6,6-tetramethylpiperidin-4-yl) sebacate
CAS RN: 52829-07-9
Description: single chemical compound
STRUCTURE Formula: C28H52N2O4
Molecular Weight: 480.7235
SMILES: O=C(OC1CC(C)(C)NC(C)(C)C1)CCCCCCCCC(OC2CC(C)(C)NC(C)(C)C2)=O
Note:
Chemical Name: Oxazolidine, 3-(dichloroacetyl)-2,2,5-trimethyl-
IUPAC Name: 3-(dichloroacetyl)-2,2,5-trimethyl-1,3-oxazolidine
CAS RN: 52836-31-4
Description: single chemical compound
STRUCTURE Formula: C8H13Cl2NO2
Molecular Weight: 226.1003
SMILES: O=C(C(Cl)Cl)N1C(C)(C)OC(C)C1
Note: racemic mixture of 5R, 5S, strucutre shown without stereochem
Chemical Name: Octadecanoic acid, 12-hydroxy-, methyl ester, lithium salt
IUPAC Name: lithium 18-methoxy-18-oxooctadecan-7-olate
CAS RN: 53422-16-5
Description: single chemical compound
STRUCTURE Formula: C19H37LiO3
Molecular Weight: 320.4363
SMILES: O=C(OC)CCCCCCCCCCC([O-])CCCCCC.[Li+]
Note: parent [141-23-1]
Chemical Name: 1,2,4-Benzenetricarboxylic acid, triisononyl ester
IUPAC Name: tris(7-methyloctyl) benzene-1,2,4-tricarboxylate
CAS RN: 53894-23-8
Description: mixture or formulation
STRUCTURE Formula: C36H60O6
Molecular Weight: 588.858
SMILES: O=C(OCCCCCCC(C)C)C1=CC=C(C(OCCCCCCC(C)C)=O)C=C1C(OCCCCCCC(C)C)=O
Note: mixture of isononyl isomers, structure shown 7-methyloctyl
Chemical Name: 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-
IUPAC Name: 5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid
CAS RN: 53980-88-4
Description: mixture or formulation
STRUCTURE Formula: C21H36O4
Molecular Weight: 352.5081
SMILES: O=C(O)CCCCCCCC1C=CC(CCCCCC)C(C(O)=O)C1
Note: mixture of 5 and 6 carboxy-4-hexyl, structure shown 5
Chemical Name: Zinc, bis[O,O-bis(dodecylphenyl) phosphorodithioato-.kappa.S,.kappa.S']-
IUPAC Name: zinc O,O-bis(4-dodecylphenyl) bisdithiophosphate
CAS RN: 54261-67-5
Description: mixture or formulation
STRUCTURE Formula: C72H116O4P2S4Zn
Molecular Weight: 1301.3056
SMILES: [S-]P(OC1=CC=C(CCCCCCCCCCCC)C=C1)(OC2=CC=C(CCCCCCCCCCCC)C=C2)=S.[S-]P(OC3=CC=C(CCCCCCCCCCCC)C=C3)(OC4=CC=C(CCCCCCCCCCCC)C=C4)=S.[Zn+2]
Note: mixture of o-, m-, p- dodecylphenyl isomers, structure shown p-
Chemical Name: 1H-Isoindole-1,3(2H)-dione, 5,5'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[2-methyl-
IUPAC Name: 5,5'-[propane-2,2-diylbis(4,1-phenyleneoxy)]bis(2-methyl-1H-isoindole-1,3(2H)-dione)
CAS RN: 54395-52-7
Description: single chemical compound
STRUCTURE Formula: C33H26N2O6
Molecular Weight: 546.5693
SMILES: O=C1C2=C(C=C(OC(C=C4)=CC=C4C(C3=CC=C(OC6=CC5=C(C=C6)C(N(C)C5=O)=O)C=C3)(C)C)C=C2)C(N1C)=O
Note:
Chemical Name: Acetic acid, 2,2',2''-[(methylstannylidyne)tris(thio)]tris-, triisooctyl ester
IUPAC Name: 6-methylheptyl 4,14-dimethyl-4-({2-[(6-methylheptyl)oxy]-2-oxoethyl}thio)-7-oxo-8-oxa-3,5-dithia-4-stannapentadecan-1-oate
CAS RN: 54849-38-6
Description: mixture or formulation
STRUCTURE Formula: C31H60O6S3Sn
Molecular Weight: 743.7095
SMILES: O=C(OCCCCCC(C)C)CS[Sn](SCC(OCCCCCC(C)C)=O)(C)SCC(OCCCCCC(C)C)=O
Note: mixture of isooctyl isomers, structure shown 6-methylheptyl
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