3-[2-carboxy-6-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanyl-hexyl]benzoic acid

Systemtic Name: 3-[2-carboxy-6-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanyl-hexyl]benzoic acid Openeye Name: 3-[2-carboxy-6-[2-(hydroxyamino)-2-oxo-ethyl]sulfanyl-hexyl]benzoic acid CAS Name: 3-[2-carboxy-6-[[2-(hydroxyamino)-2-oxoethyl]thio]hexyl]benzoic acid IUPAC Name: 3-[2-carboxy-6-[2-(hydroxyamino)-2-oxoethyl]sulfanylhexyl]benzoic acid Traditional Name: 3-[2-carboxy-6-[[2-(hydroxyamino)-2-keto-ethyl]thio]hexyl]benzoic acid Formula: C16H21NO6S MolecularWeight: 355.40604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(CCCCSCC(=O)NO)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CC(CCCCSCC(=O)NO)C(=O)O)C(=O)O

InChI

InChI=1S/C16H21NO6S/c18-14(17-23)10-24-7-2-1-5-12(15(19)20)8-11-4-3-6-13(9-11)16(21)22/h3-4,6,9,12,23H,1-2,5,7-8,10H2,(H,17,18)(H,19,20)(H,21,22)