3-[4-carboxy-1-(oxidanylamino)-1-oxidanylidene-3-sulfanyl-heptan-3-yl]-5-phenoxy-benzoic acid

Systemtic Name: 3-[4-carboxy-1-(oxidanylamino)-1-oxidanylidene-3-sulfanyl-heptan-3-yl]-5-phenoxy-benzoic acid Openeye Name: 3-[2-carboxy-1-[2-(hydroxyamino)-2-oxo-ethyl]-1-sulfanyl-pentyl]-5-phenoxy-benzoic acid CAS Name: 3-[4-carboxy-1-(hydroxyamino)-3-mercapto-1-oxoheptan-3-yl]-5-phenoxybenzoic acid IUPAC Name: 3-[4-carboxy-1-(hydroxyamino)-1-oxo-3-sulfanylheptan-3-yl]-5-phenoxybenzoic acid Traditional Name: 3-[2-carboxy-1-[2-(hydroxyamino)-2-keto-ethyl]-1-mercapto-pentyl]-5-phenoxy-benzoic acid Formula: C21H23NO7S MolecularWeight: 433.47482

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)OC2=CC=CC=C2)S

Isomeric SMILES

CCCC(C(=O)O)C(CC(=O)NO)(C1=CC(=CC(=C1)C(=O)O)OC2=CC=CC=C2)S

InChI

InChI=1S/C21H23NO7S/c1-2-6-17(20(26)27)21(30,12-18(23)22-28)14-9-13(19(24)25)10-16(11-14)29-15-7-4-3-5-8-15/h3-5,7-11,17,28,30H,2,6,12H2,1H3,(H,22,23)(H,24,25)(H,26,27)