8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoic acid

Systemtic Name: 8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoic acid Openeye Name: 8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoic acid CAS Name: 2-mercapto-8-methyl-2-(6-methylheptyl)nonanoic acid IUPAC Name: 8-methyl-2-(6-methylheptyl)-2-sulfanylnonanoic acid Traditional Name: 2-mercapto-8-methyl-2-(6-methylheptyl)pelargonic acid Formula: C18H36O2S MolecularWeight: 316.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(CCCCCC(C)C)(C(=O)O)S

Isomeric SMILES

CC(C)CCCCCC(CCCCCC(C)C)(C(=O)O)S

InChI

InChI=1S/C18H36O2S/c1-15(2)11-7-5-9-13-18(21,17(19)20)14-10-6-8-12-16(3)4/h15-16,21H,5-14H2,1-4H3,(H,19,20)