2-(3-methyl-1-sulfanyl-cyclohexyl)ethanoic acid

Systemtic Name: 2-(3-methyl-1-sulfanyl-cyclohexyl)ethanoic acid Openeye Name: 2-(3-methyl-1-sulfanyl-cyclohexyl)acetic acid CAS Name: 2-(1-mercapto-3-methylcyclohexyl)acetic acid IUPAC Name: 2-(3-methyl-1-sulfanylcyclohexyl)acetic acid Traditional Name: 2-(1-mercapto-3-methyl-cyclohexyl)acetic acid Formula: C9H16O2S MolecularWeight: 188.28714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(CC(=O)O)S

Isomeric SMILES

CC1CCCC(C1)(CC(=O)O)S

InChI

InChI=1S/C9H16O2S/c1-7-3-2-4-9(12,5-7)6-8(10)11/h7,12H,2-6H2,1H3,(H,10,11)