3,5-dimethyl-1H-pyrazol-2-ium; 4-nitrobenzenesulfinate

Systemtic Name: 3,5-dimethyl-1H-pyrazol-2-ium; 4-nitrobenzenesulfinate Openeye Name: 3,5-dimethyl-1H-pyrazol-2-ium; 4-nitrobenzenesulfinate CAS Name: 3,5-dimethyl-1H-pyrazol-2-ium; 4-nitrobenzenesulfinate IUPAC Name: 3,5-dimethyl-1H-pyrazol-2-ium; 4-nitrobenzenesulfinate Traditional Name: 3,5-dimethyl-1H-pyrazol-2-ium; 4-nitrobenzenesulfinate Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]N1)C.C1=CC(=CC=C1[N+](=O)[O-])S(=O)[O-]

Isomeric SMILES

CC1=CC(=[NH+]N1)C.C1=CC(=CC=C1[N+](=O)[O-])S(=O)[O-]

InChI

InChI=1S/C6H5NO4S.C5H8N2/c8-7(9)5-1-3-6(4-2-5)12(10)11;1-4-3-5(2)7-6-4/h1-4H,(H,10,11);3H,1-2H3,(H,6,7)