4-(1-oxidanyl-1-oxidanylidene-hexan-2-yl)sulfanylbenzoic acid

Systemtic Name: 4-(1-oxidanyl-1-oxidanylidene-hexan-2-yl)sulfanylbenzoic acid Openeye Name: 4-(1-carboxypentylsulfanyl)benzoic acid CAS Name: 4-[(1-hydroxy-1-oxohexan-2-yl)thio]benzoic acid IUPAC Name: 4-(1-hydroxy-1-oxohexan-2-yl)sulfanylbenzoic acid Traditional Name: 4-(1-carboxypentylthio)benzoic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4S/c1-2-3-4-11(13(16)17)18-10-7-5-9(6-8-10)12(14)15/h5-8,11H,2-4H2,1H3,(H,14,15)(H,16,17)