3-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanylbenzoic acid

Systemtic Name: 3-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanylbenzoic acid Openeye Name: 3-(1-carboxypropylsulfanyl)benzoic acid CAS Name: 3-[(1-hydroxy-1-oxobutan-2-yl)thio]benzoic acid IUPAC Name: 3-(1-hydroxy-1-oxobutan-2-yl)sulfanylbenzoic acid Traditional Name: 3-(1-carboxypropylthio)benzoic acid Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCC(C(=O)O)SC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C11H12O4S/c1-2-9(11(14)15)16-8-5-3-4-7(6-8)10(12)13/h3-6,9H,2H2,1H3,(H,12,13)(H,14,15)