2-ethoxy-4-propyl-3-sulfanyl-benzoic acid

Systemtic Name: 2-ethoxy-4-propyl-3-sulfanyl-benzoic acid Openeye Name: 2-ethoxy-4-propyl-3-sulfanyl-benzoic acid CAS Name: 2-ethoxy-3-mercapto-4-propylbenzoic acid IUPAC Name: 2-ethoxy-4-propyl-3-sulfanylbenzoic acid Traditional Name: 2-ethoxy-3-mercapto-4-propyl-benzoic acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1)C(=O)O)OCC)S

Isomeric SMILES

CCCC1=C(C(=C(C=C1)C(=O)O)OCC)S

InChI

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