Computational Toxicology Research Program

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Chemical Name: Distillates, petroleum, intermediate vacuum
IUPAC Name:
CAS RN: 70592-76-6
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Distillates, petroleum, light vacuum
IUPAC Name:
CAS RN: 70592-77-7
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Distillates, petroleum, vacuum
IUPAC Name:
CAS RN: 70592-78-8
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Residues, petroleum, atm. tower, light
IUPAC Name:
CAS RN: 70592-79-9
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Amines, C10-16-alkyldimethyl, N-oxides
IUPAC Name: dimethyl(tridecyl)amine oxide
CAS RN: 70592-80-2
Description: mixture or formulation
STRUCTURE Formula: C15H33NO
Molecular Weight: 243.4286
SMILES: [O-][N+](C)(C)CCCCCCCCCCCCC
Note: mixture of alkylamines, structure shown C-13, ammonium

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Chemical Name: Aromatic hydrocarbons, C9-11
IUPAC Name:
CAS RN: 70693-06-0
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Phenol, 2,4-bis(1-methyl-1-phenylethyl)-6-[(2-nitrophenyl)azo]-
IUPAC Name: 2,4-bis(1-methyl-1-phenylethyl)-6-[(E)-(2-nitrophenyl)diazenyl]phenol
CAS RN: 70693-50-4
Description: single chemical compound
STRUCTURE Formula: C30H29N3O3
Molecular Weight: 479.5696
SMILES: OC1=C(C(C3=CC=CC=C3)(C)C)C=C(C(C4=CC=CC=C4)(C)C)C=C1/N=N/C2=C([N+]([O-])=O)C=CC=C2
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Chemical Name: Heptanoic acid, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) ester
IUPAC Name: 13-oxo-3,6,9,12-tetraoxanonadec-1-yl heptanoate (non-preferred name)
CAS RN: 70729-68-9
Description: single chemical compound
STRUCTURE Formula: C22H42O7
Molecular Weight: 418.5647
SMILES: O=C(CCCCCC)OCCOCCOCCOCCOC(CCCCCC)=O
Note:

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Chemical Name: Amides, coco, N-[3-(dimethylamino)propyl], alkylation products with sodium 3-chloro-2-hydroxypropanesulfonate
IUPAC Name:
CAS RN: 70851-08-0
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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