5-methoxy-2-[2-(phenylmethylsulfanyl)ethanoyloxy]benzoic acid

Systemtic Name: 5-methoxy-2-[2-(phenylmethylsulfanyl)ethanoyloxy]benzoic acid Openeye Name: 2-(2-benzylsulfanylacetyl)oxy-5-methoxy-benzoic acid CAS Name: 5-methoxy-2-[1-oxo-2-(phenylmethylthio)ethoxy]benzoic acid IUPAC Name: 2-(2-benzylsulfanylacetyl)oxy-5-methoxybenzoic acid Traditional Name: 2-[2-(benzylthio)acetyl]oxy-5-methoxy-benzoic acid Formula: C17H16O5S MolecularWeight: 332.37094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC(=O)CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC(=O)CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H16O5S/c1-21-13-7-8-15(14(9-13)17(19)20)22-16(18)11-23-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,19,20)