Chemical Name: 1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt
IUPAC Name: [hexadecyl(dimethyl)ammonio]acetate
CAS RN: 693-33-4
Description: single chemical compound
STRUCTURE Formula: C20H41NO2
Molecular Weight: 327.545
SMILES: O=C([O-])C[N+](C)(C)CCCCCCCCCCCCCCCC
Note: ammonium
Chemical Name: Propanoic acid, 3,3'-thiobis-, dioctadecyl ester
IUPAC Name: dioctadecyl 3,3'-thiodipropanoate
CAS RN: 693-36-7
Description: single chemical compound
STRUCTURE Formula: C42H82O4S
Molecular Weight: 683.1631
SMILES: O=C(OCCCCCCCCCCCCCCCCCC)CCSCCC(OCCCCCCCCCCCCCCCCCC)=O
Note:
Chemical Name: Thiazole, 4-methyl-
IUPAC Name: 4-methyl-1,3-thiazole
CAS RN: 693-95-8
Description: single chemical compound
STRUCTURE Formula: C4H5NS
Molecular Weight: 99.1542
SMILES: CC1=CSC=N1
Note:
Chemical Name: 1,2-Cyclohexanediamine
IUPAC Name: cyclohexane-1,2-diamine
CAS RN: 694-83-7
Description: single chemical compound
STRUCTURE Formula: C6H14N2
Molecular Weight: 114.1888
SMILES: NC1C(N)CCCC1
Note:
Chemical Name: 1,4-Benzenedicarbonyl dichloride, 2,3,5,6-tetrachloro-
IUPAC Name: 2,3,5,6-tetrachloroterephthaloyl dichloride
CAS RN: 719-32-4
Description: single chemical compound
STRUCTURE Formula: C8Cl6O2
Molecular Weight: 340.8024
SMILES: ClC(C1=C(Cl)C(Cl)=C(C(Cl)=C1Cl)C(Cl)=O)=O
Note:
Chemical Name: Phenol, 2,4,6-tris(1,1-dimethylethyl)-
IUPAC Name: 2,4,6-tris(1,1-dimethylethyl)phenol
CAS RN: 732-26-3
Description: single chemical compound
STRUCTURE Formula: C18H30O
Molecular Weight: 262.4302
SMILES: OC1=C(C=C(C=C1C(C)(C)C)C(C)(C)C)C(C)(C)C
Note:
Chemical Name: Stannane, dichlorodimethyl-
IUPAC Name: dichloro(dimethyl)stannane
CAS RN: 753-73-1
Description: single chemical compound
STRUCTURE Formula: C2H6Cl2Sn
Molecular Weight: 219.685
SMILES: Cl[Sn](C)(C)Cl
Note:
Chemical Name: Phosphonic acid, methyl-, dimethyl ester
IUPAC Name: dimethyl methylphosphonate
CAS RN: 756-79-6
Description: single chemical compound
STRUCTURE Formula: C3H9O3P
Molecular Weight: 124.0755
SMILES: CP(=O)(OC)OC
Note:
Chemical Name: Phosphorodithioic acid, O,O-dimethyl ester
IUPAC Name: O,O-dimethyl hydrogen dithiophosphate
CAS RN: 756-80-9
Description: single chemical compound
STRUCTURE Formula: C2H7O2PS2
Molecular Weight: 158.1795
SMILES: S=P(OC)(S)OC
Note:
Chemical Name: 1-Butene, 3,4-dichloro-
IUPAC Name: 3,4-dichlorobut-1-ene
CAS RN: 760-23-6
Description: single chemical compound
STRUCTURE Formula: C4H6Cl2
Molecular Weight: 124.9964
SMILES: C=CC(Cl)C(Cl)
Note:
Chemical Name: Hexanoyl chloride, 2-ethyl-
IUPAC Name: 2-ethylhexanoyl chloride
CAS RN: 760-67-8
Description: single chemical compound
STRUCTURE Formula: C8H15ClO
Molecular Weight: 162.6571
SMILES: ClC(C(CC)CCCC)=O
Note:
Chemical Name: Propanoic acid, 3-ethoxy-, ethyl ester
IUPAC Name: ethyl 3-ethoxypropanoate
CAS RN: 763-69-9
Description: single chemical compound
STRUCTURE Formula: C7H14O3
Molecular Weight: 146.1843
SMILES: O=C(OCC)CCOCC
Note:
Chemical Name: 2-Butene, 1,4-dichloro-
IUPAC Name: (2Z)-1,4-dichlorobut-2-ene
CAS RN: 764-41-0
Description: mixture or formulation
STRUCTURE Formula: C4H6Cl2
Molecular Weight: 124.9964
SMILES: ClCC=C/CCl
Note: mixture of Z [1476-11-5],E [110-57-6] isomers, structure shown Z, stereochem
Chemical Name: Benzenamine, N-(1-methylethyl)-
IUPAC Name: N-isopropylaniline
CAS RN: 768-52-5
Description: single chemical compound
STRUCTURE Formula: C9H13N
Molecular Weight: 135.2062
SMILES: C1(=CC=CC=C1)NC(C)C
Note:
Chemical Name: 2-Propanol, 1-phenoxy-
IUPAC Name: 1-phenoxypropan-2-ol
CAS RN: 770-35-4
Description: single chemical compound
STRUCTURE Formula: C9H12O2
Molecular Weight: 152.1904
SMILES: OC(C)COC1=CC=CC=C1
Note:
Chemical Name: 1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
IUPAC Name: N-(1,3-dimethylbutyl)-N'-phenylbenzene-1,4-diamine
CAS RN: 793-24-8
Description: single chemical compound
STRUCTURE Formula: C18H24N2
Molecular Weight: 268.3966
SMILES: N(c(ccc(Nc(cccc1)c1)c2)c2)C(CC(C)C)C
Note:
Chemical Name: Butanoic acid, 3,3-dimethyl-2-oxo-
IUPAC Name: 3,3-dimethyl-2-oxobutanoic acid
CAS RN: 815-17-8
Description: single chemical compound
STRUCTURE Formula: C6H10O3
Molecular Weight: 130.1418
SMILES: O=C(O)C(C(C)(C)C)=O
Note:
Chemical Name: Stannane, dibutyloxo-
IUPAC Name: dibutyl(oxo)stannane
CAS RN: 818-08-6
Description: single chemical compound
STRUCTURE Formula: C8H18OSn
Molecular Weight: 248.9379
SMILES: O=[Sn](CCCC)CCCC
Note:
Chemical Name: 2-Propenoic acid, 2-hydroxyethyl ester
IUPAC Name: 2-hydroxyethyl prop-2-enoate
CAS RN: 818-61-1
Description: single chemical compound
STRUCTURE Formula: C5H8O3
Molecular Weight: 116.1152
SMILES: C=CC(=O)OCCO
Note:
Chemical Name: Hexane, 1,6-diisocyanato-
IUPAC Name: 1,6-diisocyanatohexane
CAS RN: 822-06-0
Description: single chemical compound
STRUCTURE Formula: C8H12N2O2
Molecular Weight: 168.1931
SMILES: O=C=N/CCCCCCN=C=O
Note:
Chemical Name: Octadecanoic acid, sodium salt
IUPAC Name: sodium stearate
CAS RN: 822-16-2
Description: single chemical compound
STRUCTURE Formula: C18H35NaO2
Molecular Weight: 306.4591
SMILES: O=C([O-])CCCCCCCCCCCCCCCCC.[Na+]
Note: parent [57-11-4]
Chemical Name: 1,3-Benzenediamine, 2-methyl-
IUPAC Name: 2-methylbenzene-1,3-diamine
CAS RN: 823-40-5
Description: single chemical compound
STRUCTURE Formula: C7H10N2
Molecular Weight: 122.1677
SMILES: NC1=CC=CC(N)=C1C
Note:
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