Wednesday, February 29, 2012

Computational Toxicology Research Program




Chemical Name: Natural gas
IUPAC Name:
CAS RN: 8006-14-2
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note: raw natural gas, as found in nature, or a gaseous combination of hydrocarbons having carbon numbers predominantly in the range of C1 through C4


Chemical Name: Fuel gases, low and medium B.T.U.
IUPAC Name:
CAS RN: 8006-20-0
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note: complex combination obtained by burning coal or coke with a restricted air / oxygen supply, consist primarily of carbon monoxide, carbon dioxide and hydrogen


Chemical Name: Lanolin
IUPAC Name:
CAS RN: 8006-54-0
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note: a yellow fat obtained from sheep's wool


Chemical Name: Gasoline, natural
IUPAC Name:
CAS RN: 8006-61-9
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note: complex combination of hydrocarbons separated from natural gas, consists predominantly of saturated aliphatic hydrocarbons having carbon numbers primarily in the range of C4 through C8


Chemical Name: Turpentine, oil
IUPAC Name:
CAS RN: 8006-64-2
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note: distillates resulting from the solvent extraction of gum or pulping of softwoods composed primarily of C10H16 terpene hydrocarbons: alpha-pinene, beta-pinene, limonene, 3-carene, camphene


Chemical Name: Cashew, nutshell liq.
IUPAC Name:
CAS RN: 8007-24-7
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note: extract of Anacardium occidentale, Anacardiaceae


Chemical Name: Sorbitan, (9Z)-9-octadecenoate (2:3)
IUPAC Name: 1,4-anhydro-5,6-di-O--(9Z)-octadec-9-enoyl-D-glucitol
CAS RN: 8007-43-0
Description: mixture or formulation
STRUCTURE Formula: C42H76O7
Molecular Weight: 693.0486
SMILES: O[C@H]1CO[C@H]([C@@H](COC(CCCCCCCC=C/CCCCCCCC)=O)OC(CCCCCCCC=C/CCCCCCCC)=O)[C@@H]1O
Note: mixture of mono and dioleates approx 1:1, structure shown di, stereochem


Chemical Name: Tar, coal
IUPAC Name:
CAS RN: 8007-45-2
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note: by-product of the destructive distillation of coal


Chemical Name: Kerosine, petroleum
IUPAC Name:
CAS RN: 8008-20-6
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note: complex mixture of hydrocarbons produced by the distillation of crude oil, consists of hydrocarbons having carbon numbers C9 through C16


Chemical Name: Oils, orange, sweet
IUPAC Name:
CAS RN: 8008-57-9
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note: extract of Citrus aurantium, dulces, Citrus


No comments:

Post a Comment