[2-nitro-1,3-bis(oxidanyl)propan-2-yl]-oxidanylidene-(phenylsulfonylamino)azanium

Systemtic Name: [2-nitro-1,3-bis(oxidanyl)propan-2-yl]-oxidanylidene-(phenylsulfonylamino)azanium Openeye Name: benzenesulfonamido-[2-hydroxy-1-(hydroxymethyl)-1-nitro-ethyl]-oxo-ammonium CAS Name: benzenesulfonamido-(1,3-dihydroxy-2-nitropropan-2-yl)-oxoammonium IUPAC Name: benzenesulfonamido-(1,3-dihydroxy-2-nitropropan-2-yl)-oxoazanium Traditional Name: benzenesulfonamido-(2-hydroxy-1-methylol-1-nitro-ethyl)-keto-ammonium Formula: C9H12N3O7S+ MolecularWeight: 306.27248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N[N+](=O)C(CO)(CO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N[N+](=O)C(CO)(CO)[N+](=O)[O-]

InChI

InChI=1S/C9H12N3O7S/c13-6-9(7-14,12(16)17)11(15)10-20(18,19)8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,10,15)/q+1