Chemical Name: Acetic acid, sodium salt
IUPAC Name: sodium acetate
CAS RN: 127-09-3
Description: single chemical compound
STRUCTURE Formula: C2H3NaO2
Molecular Weight: 82.0338
SMILES: O=C(C)[O-].[Na+]
Note: parent [64-19-7]
Chemical Name: Ethene, tetrachloro-
IUPAC Name: tetrachloroethene
CAS RN: 127-18-4
Description: single chemical compound
STRUCTURE Formula: C2Cl4
Molecular Weight: 165.8334
SMILES: ClC(=C(Cl)Cl)Cl
Note:
Chemical Name: Acetamide, N,N-dimethyl-
IUPAC Name: N,N-dimethylacetamide
CAS RN: 127-19-5
Description: single chemical compound
STRUCTURE Formula: C4H9NO
Molecular Weight: 87.1204
SMILES: CN(C)C(C)=O
Note:
Chemical Name: 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
IUPAC Name: 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
CAS RN: 127-51-5
Description: single chemical compound
STRUCTURE Formula: C14H22O
Molecular Weight: 206.3239
SMILES: O=C(/C(C)=C/C1C(C)=CCCC(C)1C)C
Note:
Chemical Name: Benzenesulfonic acid, 3-nitro-, sodium salt
IUPAC Name: sodium 3-nitrobenzenesulfonate
CAS RN: 127-68-4
Description: single chemical compound
STRUCTURE Formula: C6H4NNaO5S
Molecular Weight: 225.1544
SMILES: O=S(C1=CC=CC([N+]([O-])=O)=C1)([O-])=O.[Na+]
Note: parent [98-47-5]
Chemical Name: Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-
IUPAC Name: 6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane
CAS RN: 127-91-3
Description: single chemical compound
STRUCTURE Formula: C10H16
Molecular Weight: 136.234
SMILES: CC(C1C2)(C)C2CCC1=C
Note:
Chemical Name: Carbamodithioic acid, dimethyl-, sodium salt
IUPAC Name: sodium dimethyldithiocarbamate
CAS RN: 128-04-1
Description: single chemical compound
STRUCTURE Formula: C3H6NNaS2
Molecular Weight: 143.2062
SMILES: [S-]C(N(C)C)=S.[Na+]
Note: parent [79-45-8]
Chemical Name: Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-
IUPAC Name: 2,6-di-tert-butyl-4-methylphenol
CAS RN: 128-37-0
Description: single chemical compound
STRUCTURE Formula: C15H24O
Molecular Weight: 220.3505
SMILES: OC1=C(C=C(C=C1C(C)(C)C)C)C(C)(C)C
Note:
Chemical Name: Phenol, 2,6-bis(1,1-dimethylethyl)-
IUPAC Name: 2,6-di-tert-butylphenol
CAS RN: 128-39-2
Description: single chemical compound
STRUCTURE Formula: C14H22O
Molecular Weight: 206.3239
SMILES: OC1=C(C(C)(C)C)C=CC=C1C(C)(C)C
Note:
Chemical Name: 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt
IUPAC Name: sodium 3-oxo-3H-1,2-benzisothiazol-2-ide 1,1-dioxide
CAS RN: 128-44-9
Description: single chemical compound
STRUCTURE Formula: C7H4NNaO3S
Molecular Weight: 205.1663
SMILES: O=C1[N-]S(=O)(=O)C2=CC=CC=C12.[Na+]
Note: parent [81-07-2]
Chemical Name: 1,2-Benzenedicarboxylic acid, dimethyl ester
IUPAC Name: dimethyl phthalate
CAS RN: 131-11-3
Description: single chemical compound
STRUCTURE Formula: C10H10O4
Molecular Weight: 194.184
SMILES: C1(=C(C(=O)OC)C=CC=C1)C(=O)OC
Note:
Chemical Name: 1,2-Benzenedicarboxylic acid, di-2-propenyl ester
IUPAC Name: diallyl phthalate
CAS RN: 131-17-9
Description: single chemical compound
STRUCTURE Formula: C14H14O4
Molecular Weight: 246.2586
SMILES: O=C(C1=C(C=CC=C1)C(=O)OCC=C)OCC=C
Note:
Chemical Name: Methanone, (2,4-dihydroxyphenyl)phenyl-
IUPAC Name: (2,4-dihydroxyphenyl)(phenyl)methanone
CAS RN: 131-56-6
Description: single chemical compound
STRUCTURE Formula: C13H10O3
Molecular Weight: 214.2167
SMILES: C1(C(=O)C2C=CC=CC=2)C(=CC(=CC=1)O)O
Note:
Chemical Name: Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-
IUPAC Name: (2-hydroxy-4-methoxyphenyl)(phenyl)methanone
CAS RN: 131-57-7
Description: single chemical compound
STRUCTURE Formula: C14H12O3
Molecular Weight: 228.2433
SMILES: C1(C(=O)C2C=CC=CC=2)C(=CC(=CC=1)OC)O
Note:
Chemical Name: [1,1'-Biphenyl]-2-ol, sodium salt
IUPAC Name: sodium biphenyl-2-olate
CAS RN: 132-27-4
Description: single chemical compound
STRUCTURE Formula: C12H9NaO
Molecular Weight: 192.189
SMILES: [Na+].[O-]C1=C(C=CC=C1)C2=CC=CC=C2
Note: parent [90-43-7]
Chemical Name: Benzoic acid, 2-amino-, methyl ester
IUPAC Name: methyl 2-aminobenzoate
CAS RN: 134-20-3
Description: single chemical compound
STRUCTURE Formula: C8H9NO2
Molecular Weight: 151.1626
SMILES: O=C(OC)c(c(N)ccc1)c1
Note:
Chemical Name: Benzamide, N,N-diethyl-3-methyl-
IUPAC Name: N,N-diethyl-3-methylbenzamide
CAS RN: 134-62-3
Description: single chemical compound
STRUCTURE Formula: C12H17NO
Molecular Weight: 191.2695
SMILES: CCN(CC)C(=O)C1=CC=CC(C)=C1
Note:
Chemical Name: 2-Naphthalenol
IUPAC Name: 2-naphthol
CAS RN: 135-19-3
Description: single chemical compound
STRUCTURE Formula: C10H8O
Molecular Weight: 144.17466
SMILES: Oc1ccc2ccccc2c1
Note:
Chemical Name: Zinc, bis(dibutylcarbamodithioato-.kappa.S,.kappa.S')-, (T-4)-
IUPAC Name: zinc bis(dibutyldithiocarbamate)
CAS RN: 136-23-2
Description: single chemical compound
STRUCTURE Formula: C18H36N2S4Zn
Molecular Weight: 474.1608
SMILES: S=C([S-])N(CCCC)CCCC.[S-]C(N(CCCC)CCCC)=S.[Zn+2]
Note:
Chemical Name: Hexanoic acid, 2-ethyl-, calcium salt
IUPAC Name: calcium bis(2-ethylhexanoate)
CAS RN: 136-51-6
Description: single chemical compound
STRUCTURE Formula: C16H30CaO4
Molecular Weight: 326.485
SMILES: O=C([O-])C(CC)CCCC.O=C(C(CC)CCCC)[O-].[Ca+2]
Note: parent [149-57-5]
Chemical Name: Hexanoic acid, 2-ethyl-, cobalt(2+) salt
IUPAC Name: cobalt(2+) bis(2-ethylhexanoate)
CAS RN: 136-52-7
Description: single chemical compound
STRUCTURE Formula: C16H30CoO4
Molecular Weight: 345.3402
SMILES: O=C([O-])C(CC)CCCC.O=C(C(CC)CCCC)[O-].[Co+2]
Note: parent [149-57-5]
Chemical Name: Hexanoic acid, 2-ethyl-, zinc salt
IUPAC Name: zinc bis(2-ethylhexanoate)
CAS RN: 136-53-8
Description: single chemical compound
STRUCTURE Formula: C16H30O4Zn
Molecular Weight: 351.816
SMILES: O=C([O-])C(CC)CCCC.O=C(C(CC)CCCC)[O-].[Zn+2]
Note: parent [149-57-5]
Chemical Name: Glycine, N-methyl-N-(1-oxododecyl)-, sodium salt
IUPAC Name: sodium [dodecanoyl(methyl)amino]acetate
CAS RN: 137-16-6
Description: single chemical compound
STRUCTURE Formula: C15H28NNaO3
Molecular Weight: 293.3775
SMILES: O=C(CN(C(CCCCCCCCCCC)=O)C)[O-].[Na+]
Note: parent [97-78-9]
Chemical Name: Ethanesulfonic acid, 2-[methyl[(9Z)-1-oxo-9-octadecenyl]amino]-, sodium salt
IUPAC Name: sodium 2-{methyl[(9Z)-octadec-9-enoyl]amino}ethanesulfonate
CAS RN: 137-20-2
Description: single chemical compound
STRUCTURE Formula: C21H40NNaO4S
Molecular Weight: 425.6014
SMILES: O=S(CCN(C(CCCCCCCC=C/CCCCCCCC)=O)C)([O-])=O.[Na+]
Note: stereochem, parent [39388-01-7]
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