Friday, March 2, 2012

Computational Toxicology Research Program




Chemical Name: Sulfite liquors and Cooking liquors, white
IUPAC Name:
CAS RN: 68131-33-9
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Polyphosphoric acids, esters with triethanolamine, sodium salts
IUPAC Name:
CAS RN: 68131-72-6
Description: macromolecule
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Ashes, residues
IUPAC Name:
CAS RN: 68131-74-8
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Gases, petroleum, C3-4
IUPAC Name:
CAS RN: 68131-75-9
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Fatty acids, tall-oil, compds. with triethanolamine
IUPAC Name:
CAS RN: 68132-46-7
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Amides, coco, N-(hydroxyethyl)
IUPAC Name:
CAS RN: 68140-00-1
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Amides, coco, N-[3-(dimethylamino)propyl]
IUPAC Name:
CAS RN: 68140-01-2
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Amides, tallow, N,N-bis(hydroxyethyl)
IUPAC Name:
CAS RN: 68140-08-9
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Tall-oil pitch, sodium salt
IUPAC Name:
CAS RN: 68140-16-9
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Tall oil, disproportionated
IUPAC Name:
CAS RN: 68152-92-1
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Nitriles, C16-22
IUPAC Name: nonadecanenitrile
CAS RN: 68153-02-6
Description: mixture or formulation
STRUCTURE Formula: C19H37N
Molecular Weight: 279.5038
SMILES: N#CCCCCCCCCCCCCCCCCCC
Note: mixture of alkylnitriles, structure shown C-19


Chemical Name: Paraffin waxes and Hydrocarbon waxes, oxidized
IUPAC Name:
CAS RN: 68153-22-0
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Peanut oil, glycerol trioleate-enriched, sulfated, sodium salt
IUPAC Name:
CAS RN: 68153-23-1
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Quaternary ammonium compounds, benzylbis(hydrogenated tallow alkyl)methyl, salts with bentonite
IUPAC Name:
CAS RN: 68153-30-0
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Fatty acids, tall-oil, reaction products with diethylenetriamine, acetates
IUPAC Name:
CAS RN: 68153-60-6
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Amines, di-C12-18-alkyl
IUPAC Name: N-pentadecylpentadecan-1-amine
CAS RN: 68153-95-7
Description: mixture or formulation
STRUCTURE Formula: C30H63N
Molecular Weight: 437.8279
SMILES: CCCCCCCCCCCCCCCNCCCCCCCCCCCCCCC
Note: mixture of dialkylamines, structure shown C-15


Chemical Name: Fatty acids, C8-18 and C18-unsatd., compds. with triethanolamine
IUPAC Name:
CAS RN: 68154-24-5
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Fatty acids, coco, monoesters with sorbitan
IUPAC Name:
CAS RN: 68154-36-9
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Amides, tall-oil fatty, N,N-bis(hydroxyethyl)
IUPAC Name:
CAS RN: 68155-20-4
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Amines, C14-18 and C16-18-unsatd. alkyl
IUPAC Name:
CAS RN: 68155-38-4
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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Chemical Name: Resin acids and Rosin acids, Me esters
IUPAC Name:
CAS RN: 68186-14-1
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
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