4-butyl-2-methoxy-3-sulfanyl-benzoic acid

Systemtic Name: 4-butyl-2-methoxy-3-sulfanyl-benzoic acid Openeye Name: 4-butyl-2-methoxy-3-sulfanyl-benzoic acid CAS Name: 4-butyl-3-mercapto-2-methoxybenzoic acid IUPAC Name: 4-butyl-2-methoxy-3-sulfanylbenzoic acid Traditional Name: 4-butyl-3-mercapto-2-methoxy-benzoic acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C(=O)O)OC)S

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C(=O)O)OC)S

InChI

InChI=1S/C12H16O3S/c1-3-4-5-8-6-7-9(12(13)14)10(15-2)11(8)16/h6-7,16H,3-5H2,1-2H3,(H,13,14)