3-cyclopentylsulfanyl-4-methoxy-benzoic acid

Systemtic Name: 3-cyclopentylsulfanyl-4-methoxy-benzoic acid Openeye Name: 3-cyclopentylsulfanyl-4-methoxy-benzoic acid CAS Name: 3-(cyclopentylthio)-4-methoxybenzoic acid IUPAC Name: 3-cyclopentylsulfanyl-4-methoxybenzoic acid Traditional Name: 3-(cyclopentylthio)-4-methoxy-benzoic acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)SC2CCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)SC2CCCC2

InChI

InChI=1S/C13H16O3S/c1-16-11-7-6-9(13(14)15)8-12(11)17-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,15)