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

Systemtic Name: 3-[4-carboxy-1-(oxidanylamino)-1-oxidanylidene-3-sulfanyl-heptan-3-yl]benzoic acid Openeye Name: 3-[2-carboxy-1-[2-(hydroxyamino)-2-oxo-ethyl]-1-sulfanyl-pentyl]benzoic acid CAS Name: 3-[4-carboxy-1-(hydroxyamino)-3-mercapto-1-oxoheptan-3-yl]benzoic acid IUPAC Name: 3-[4-carboxy-1-(hydroxyamino)-1-oxo-3-sulfanylheptan-3-yl]benzoic acid Traditional Name: 3-[2-carboxy-1-[2-(hydroxyamino)-2-keto-ethyl]-1-mercapto-pentyl]benzoic acid Formula: C15H19NO6S MolecularWeight: 341.37946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO6S/c1-2-4-11(14(20)21)15(23,8-12(17)16-22)10-6-3-5-9(7-10)13(18)19/h3,5-7,11,22-23H,2,4,8H2,1H3,(H,16,17)(H,18,19)(H,20,21)