3-[(2-ethoxy-2-oxidanylidene-ethyl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(2-ethoxy-2-oxidanylidene-ethyl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(2-ethoxy-2-oxo-ethyl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(2-ethoxy-2-oxoethyl)thio]methyl]benzoic acid IUPAC Name: 3-[(2-ethoxy-2-oxoethyl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(2-ethoxy-2-keto-ethyl)thio]methyl]benzoic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4S/c1-2-16-11(13)8-17-7-9-4-3-5-10(6-9)12(14)15/h3-6H,2,7-8H2,1H3,(H,14,15)