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

Systemtic Name: 4-(1-oxidanyl-1-oxidanylidene-octan-2-yl)sulfanylbenzoic acid Openeye Name: 4-(1-carboxyheptylsulfanyl)benzoic acid CAS Name: 4-[(1-hydroxy-1-oxooctan-2-yl)thio]benzoic acid IUPAC Name: 4-(1-hydroxy-1-oxooctan-2-yl)sulfanylbenzoic acid Traditional Name: 4-(1-carboxyheptylthio)benzoic acid Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O4S/c1-2-3-4-5-6-13(15(18)19)20-12-9-7-11(8-10-12)14(16)17/h7-10,13H,2-6H2,1H3,(H,16,17)(H,18,19)