2-[2-(3-methoxy-3-oxidanylidene-propyl)sulfanylethoxy]benzoic acid

Systemtic Name: 2-[2-(3-methoxy-3-oxidanylidene-propyl)sulfanylethoxy]benzoic acid Openeye Name: 2-[2-(3-methoxy-3-oxo-propyl)sulfanylethoxy]benzoic acid CAS Name: 2-[2-[(3-methoxy-3-oxopropyl)thio]ethoxy]benzoic acid IUPAC Name: 2-[2-(3-methoxy-3-oxopropyl)sulfanylethoxy]benzoic acid Traditional Name: 2-[2-[(3-keto-3-methoxy-propyl)thio]ethoxy]benzoic acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCCOC1=CC=CC=C1C(=O)O

Isomeric SMILES

COC(=O)CCSCCOC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H16O5S/c1-17-12(14)6-8-19-9-7-18-11-5-3-2-4-10(11)13(15)16/h2-5H,6-9H2,1H3,(H,15,16)