4,5-bis(carboxymethyl)-4,5,7-tris(oxidanyl)-3-oxidanylidene-6-sulfanyl-nonanedioic acid

Systemtic Name: 4,5-bis(carboxymethyl)-4,5,7-tris(oxidanyl)-3-oxidanylidene-6-sulfanyl-nonanedioic acid Openeye Name: 4,5-bis(carboxymethyl)-4,5,7-trihydroxy-3-oxo-6-sulfanyl-nonanedioic acid CAS Name: 4,5-bis(carboxymethyl)-4,5,7-trihydroxy-6-mercapto-3-oxononanedioic acid IUPAC Name: 4,5-bis(carboxymethyl)-4,5,7-trihydroxy-3-oxo-6-sulfanylnonanedioic acid Traditional Name: 4,5-bis(carboxymethyl)-4,5,7-trihydroxy-3-keto-6-mercapto-azelaic acid Formula: C13H18O12S MolecularWeight: 398.33982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(CC(=O)O)(C(CC(=O)O)(C(=O)CC(=O)O)O)O)S)O)C(=O)O

Isomeric SMILES

C(C(C(C(CC(=O)O)(C(CC(=O)O)(C(=O)CC(=O)O)O)O)S)O)C(=O)O

InChI

InChI=1S/C13H18O12S/c14-5(1-7(16)17)11(26)13(25,4-10(22)23)12(24,3-9(20)21)6(15)2-8(18)19/h5,11,14,24-26H,1-4H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)