4-[(2-methoxy-2-oxidanylidene-ethyl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(2-methoxy-2-oxidanylidene-ethyl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(2-methoxy-2-oxo-ethyl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(2-methoxy-2-oxoethyl)thio]methyl]benzoic acid IUPAC Name: 4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(2-keto-2-methoxy-ethyl)thio]methyl]benzoic acid Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COC(=O)CSCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H12O4S/c1-15-10(12)7-16-6-8-2-4-9(5-3-8)11(13)14/h2-5H,6-7H2,1H3,(H,13,14)