4-[(3-methoxycarbonylphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(3-methoxycarbonylphenyl)methylsulfanyl]benzoic acid Openeye Name: 4-[(3-methoxycarbonylphenyl)methylsulfanyl]benzoic acid CAS Name: 4-[(3-methoxycarbonylphenyl)methylthio]benzoic acid IUPAC Name: 4-[(3-methoxycarbonylphenyl)methylsulfanyl]benzoic acid Traditional Name: 4-[(3-carbomethoxybenzyl)thio]benzoic acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=CC=C(C=C2)C(=O)O

InChI

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