1-[(4-methoxyphenyl)methyl]-2-sulfanyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-2-sulfanyl-cyclohexane-1-carboxylic acid Openeye Name: 1-[(4-methoxyphenyl)methyl]-2-sulfanyl-cyclohexanecarboxylic acid CAS Name: 2-mercapto-1-[(4-methoxyphenyl)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(4-methoxyphenyl)methyl]-2-sulfanylcyclohexane-1-carboxylic acid Traditional Name: 2-mercapto-1-p-anisyl-cyclohexanecarboxylic acid Formula: C15H20O3S MolecularWeight: 280.3825

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2(CCCCC2S)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2(CCCCC2S)C(=O)O

InChI

InChI=1S/C15H20O3S/c1-18-12-7-5-11(6-8-12)10-15(14(16)17)9-3-2-4-13(15)19/h5-8,13,19H,2-4,9-10H2,1H3,(H,16,17)