6-[(3-azido-5-sulfo-phenyl)carbonylamino]hexanoic acid; 1-oxidanylpyrrolidine-2,5-dione

Systemtic Name: 6-[(3-azido-5-sulfo-phenyl)carbonylamino]hexanoic acid; 1-oxidanylpyrrolidine-2,5-dione Openeye Name: 6-[(3-azido-5-sulfo-benzoyl)amino]hexanoic acid; 1-hydroxypyrrolidine-2,5-dione CAS Name: 6-[[(3-azido-5-sulfophenyl)-oxomethyl]amino]hexanoic acid; 1-hydroxypyrrolidine-2,5-dione IUPAC Name: 6-[(3-azido-5-sulfobenzoyl)amino]hexanoic acid; 1-hydroxypyrrolidine-2,5-dione Traditional Name: 6-[(3-azido-5-sulfo-benzoyl)amino]hexanoic acid; 1-hydroxypyrrolidine-2,5-quinone Formula: C17H21N5O9S MolecularWeight: 471.44174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)O.C1=C(C=C(C=C1N=[N+]=[N-])S(=O)(=O)O)C(=O)NCCCCCC(=O)O

Isomeric SMILES

C1CC(=O)N(C1=O)O.C1=C(C=C(C=C1N=[N+]=[N-])S(=O)(=O)O)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C13H16N4O6S.C4H5NO3/c14-17-16-10-6-9(7-11(8-10)24(21,22)23)13(20)15-5-3-1-2-4-12(18)19;6-3-1-2-4(7)5(3)8/h6-8H,1-5H2,(H,15,20)(H,18,19)(H,21,22,23);8H,1-2H2