Computational Toxicology Research Program

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Chemical Name: Fatty acids, C14-18
IUPAC Name: palmitic acid
CAS RN: 67701-02-4
Description: mixture or formulation
STRUCTURE Formula: C16H32O2
Molecular Weight: 256.4241
SMILES: OC(=O)CCCCCCCCCCCCCCC
Note: mixture of fatty acids, structure shown C-16

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Chemical Name: Fatty acids, C16-18
IUPAC Name: heptadecanoic acid
CAS RN: 67701-03-5
Description: mixture or formulation
STRUCTURE Formula: C17H34O2
Molecular Weight: 270.4544
SMILES: O=C(O)CCCCCCCCCCCCCCCC
Note: mixture of fatty acids, structure shown C-17

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Chemical Name: Fatty acids, C8-18 and C18-unsatd.
IUPAC Name:
CAS RN: 67701-05-7
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Fatty acids, C14-18 and C16-18-unsatd.
IUPAC Name:
CAS RN: 67701-06-8
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Fatty acids, C16 and C18-unsatd.
IUPAC Name:
CAS RN: 67701-07-9
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Fatty acids, C16-18 and C18-unsatd.
IUPAC Name:
CAS RN: 67701-08-0
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Fatty acids, C8-18 and C18-unsatd., potassium salts
IUPAC Name:
CAS RN: 67701-09-1
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Fatty acids, C8-18 and C18-unsatd., sodium salts
IUPAC Name:
CAS RN: 67701-10-4
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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Chemical Name: Fatty acids, C14-18 and C16-18-unsatd., sodium salts
IUPAC Name:
CAS RN: 67701-11-5
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

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