4-[diazonio-[3-oxidanyl-2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]amino]benzoate

Systemtic Name: 4-[diazonio-[3-oxidanyl-2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]amino]benzoate Openeye Name: 4-[diazonio-(3-hydroxy-2,5-dioxo-3-sulfo-pyrrolidin-1-yl)amino]benzoate CAS Name: 4-[diazonio-(3-hydroxy-2,5-dioxo-3-sulfo-1-pyrrolidinyl)amino]benzoate IUPAC Name: 4-[diazonio-(3-hydroxy-2,5-dioxo-3-sulfopyrrolidin-1-yl)amino]benzoate Traditional Name: 4-[diazonio-(3-hydroxy-2,5-diketo-3-sulfo-pyrrolidino)amino]benzoate Formula: C11H8N4O8S MolecularWeight: 356.26822

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)C1(O)S(=O)(=O)O)N(C2=CC=C(C=C2)C(=O)[O-])[N+]#N

Isomeric SMILES

C1C(=O)N(C(=O)C1(O)S(=O)(=O)O)N(C2=CC=C(C=C2)C(=O)[O-])[N+]#N

InChI

InChI=1S/C11H8N4O8S/c12-13-15(7-3-1-6(2-4-7)9(17)18)14-8(16)5-11(20,10(14)19)24(21,22)23/h1-4,20H,5H2,(H-,17,18,21,22,23)