4-butyl-2-(2-nitrophenyl)sulfonyl-1,2-diazet-2-ium-3-carboxylic acid

Systemtic Name: 4-butyl-2-(2-nitrophenyl)sulfonyl-1,2-diazet-2-ium-3-carboxylic acid Openeye Name: 4-butyl-2-(2-nitrophenyl)sulfonyl-diazet-2-ium-3-carboxylic acid CAS Name: 4-butyl-2-(2-nitrophenyl)sulfonyl-3-diazet-2-iumcarboxylic acid IUPAC Name: 4-butyl-2-(2-nitrophenyl)sulfonyldiazet-2-ium-3-carboxylic acid Traditional Name: 4-butyl-2-(2-nitrophenyl)sulfonyl-diazet-2-ium-3-carboxylic acid Formula: C13H14N3O6S+ MolecularWeight: 340.33176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([N+](=N1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCC1=C([N+](=N1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H13N3O6S/c1-2-3-6-9-12(13(17)18)15(14-9)23(21,22)11-8-5-4-7-10(11)16(19)20/h4-5,7-8H,2-3,6H2,1H3/p+1