2-(2-butoxy-2-oxidanylidene-ethyl)sulfanylbenzoic acid

Systemtic Name: 2-(2-butoxy-2-oxidanylidene-ethyl)sulfanylbenzoic acid Openeye Name: 2-(2-butoxy-2-oxo-ethyl)sulfanylbenzoic acid CAS Name: 2-[(2-butoxy-2-oxoethyl)thio]benzoic acid IUPAC Name: 2-(2-butoxy-2-oxoethyl)sulfanylbenzoic acid Traditional Name: 2-[(2-butoxy-2-keto-ethyl)thio]benzoic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCOC(=O)CSC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H16O4S/c1-2-3-8-17-12(14)9-18-11-7-5-4-6-10(11)13(15)16/h4-7H,2-3,8-9H2,1H3,(H,15,16)