3-[4-carboxy-1-(oxidanylamino)-1-oxidanylidene-3-sulfanyl-octan-3-yl]benzoic acid

Systemtic Name: 3-[4-carboxy-1-(oxidanylamino)-1-oxidanylidene-3-sulfanyl-octan-3-yl]benzoic acid Openeye Name: 3-[2-carboxy-1-[2-(hydroxyamino)-2-oxo-ethyl]-1-sulfanyl-hexyl]benzoic acid CAS Name: 3-[4-carboxy-1-(hydroxyamino)-3-mercapto-1-oxooctan-3-yl]benzoic acid IUPAC Name: 3-[4-carboxy-1-(hydroxyamino)-1-oxo-3-sulfanyloctan-3-yl]benzoic acid Traditional Name: 3-[2-carboxy-1-[2-(hydroxyamino)-2-keto-ethyl]-1-mercapto-hexyl]benzoic acid Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)C(CC(=O)NO)(C1=CC=CC(=C1)C(=O)O)S

Isomeric SMILES

CCCCC(C(=O)O)C(CC(=O)NO)(C1=CC=CC(=C1)C(=O)O)S

InChI

InChI=1S/C16H21NO6S/c1-2-3-7-12(15(21)22)16(24,9-13(18)17-23)11-6-4-5-10(8-11)14(19)20/h4-6,8,12,23-24H,2-3,7,9H2,1H3,(H,17,18)(H,19,20)(H,21,22)