4,5-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-4,5,7-tris(oxidanyl)-3-oxidanylidene-6-sulfanyl-nonanedioate

Systemtic Name: 4,5-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-4,5,7-tris(oxidanyl)-3-oxidanylidene-6-sulfanyl-nonanedioate Openeye Name: 4,5,7-trihydroxy-4,5-bis(2-oxido-2-oxo-ethyl)-3-oxo-6-sulfanyl-nonanedioate CAS Name: 4,5,7-trihydroxy-6-mercapto-4,5-bis(2-oxido-2-oxoethyl)-3-oxononanedioate IUPAC Name: 4,5,7-trihydroxy-4,5-bis(2-oxido-2-oxoethyl)-3-oxo-6-sulfanylnonanedioate Traditional Name: 4,5,7-trihydroxy-3-keto-4,5-bis(2-keto-2-oxido-ethyl)-6-mercapto-azelaate Formula: C13H14O12S-4 MolecularWeight: 394.30806

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)/p-4