3-methoxy-5-phenacylsulfanyl-benzoic acid

Systemtic Name: 3-methoxy-5-phenacylsulfanyl-benzoic acid Openeye Name: 3-methoxy-5-phenacylsulfanyl-benzoic acid CAS Name: 3-methoxy-5-(phenacylthio)benzoic acid IUPAC Name: 3-methoxy-5-phenacylsulfanylbenzoic acid Traditional Name: 3-methoxy-5-(phenacylthio)benzoic acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)O)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)O)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H14O4S/c1-20-13-7-12(16(18)19)8-14(9-13)21-10-15(17)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19)