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

Systemtic Name: 3-[4-carboxy-1-(oxidanylamino)-1-oxidanylidene-3-sulfanyl-hexan-3-yl]benzoic acid Openeye Name: 3-[2-carboxy-1-[2-(hydroxyamino)-2-oxo-ethyl]-1-sulfanyl-butyl]benzoic acid CAS Name: 3-[4-carboxy-1-(hydroxyamino)-3-mercapto-1-oxohexan-3-yl]benzoic acid IUPAC Name: 3-[4-carboxy-1-(hydroxyamino)-1-oxo-3-sulfanylhexan-3-yl]benzoic acid Traditional Name: 3-[2-carboxy-1-[2-(hydroxyamino)-2-keto-ethyl]-1-mercapto-butyl]benzoic acid Formula: C14H17NO6S MolecularWeight: 327.35288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6S/c1-2-10(13(19)20)14(22,7-11(16)15-21)9-5-3-4-8(6-9)12(17)18/h3-6,10,21-22H,2,7H2,1H3,(H,15,16)(H,17,18)(H,19,20)