2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-3-sulfo-butanedioic acid

Systemtic Name: 2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-3-sulfo-butanedioic acid Openeye Name: 2-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]-3-sulfo-butanedioic acid CAS Name: 2-[(1-hydroxy-1-oxopropan-2-yl)amino]-3-sulfobutanedioic acid IUPAC Name: 2-[(1-hydroxy-1-oxopropan-2-yl)amino]-3-sulfobutanedioic acid Traditional Name: 2-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]-3-sulfo-succinic acid Formula: C7H11NO9S MolecularWeight: 285.22854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11NO9S/c1-2(5(9)10)8-3(6(11)12)4(7(13)14)18(15,16)17/h2-4,8H,1H3,(H,9,10)(H,11,12)(H,13,14)(H,15,16,17)