3-[(3-methoxy-3-oxidanylidene-propyl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(3-methoxy-3-oxidanylidene-propyl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(3-methoxy-3-oxo-propyl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(3-methoxy-3-oxopropyl)thio]methyl]benzoic acid IUPAC Name: 3-[(3-methoxy-3-oxopropyl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(3-keto-3-methoxy-propyl)thio]methyl]benzoic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

COC(=O)CCSCC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C12H14O4S/c1-16-11(13)5-6-17-8-9-3-2-4-10(7-9)12(14)15/h2-4,7H,5-6,8H2,1H3,(H,14,15)