4-[(4Z)-4-(methylhydrazinylidene)-5-methylimino-3-oxidanyl-3H-pyrazol-2-ium-2-yl]benzenesulfonic acid

Systemtic Name: 4-[(4Z)-4-(methylhydrazinylidene)-5-methylimino-3-oxidanyl-3H-pyrazol-2-ium-2-yl]benzenesulfonic acid Openeye Name: 4-[(4Z)-3-hydroxy-4-(methylhydrazono)-5-methylimino-3H-pyrazol-2-ium-2-yl]benzenesulfonic acid CAS Name: 4-[(4Z)-3-hydroxy-4-(methylhydrazinylidene)-5-methylimino-3H-pyrazol-2-ium-2-yl]benzenesulfonic acid IUPAC Name: 4-[(4Z)-3-hydroxy-4-(methylhydrazinylidene)-5-methylimino-3H-pyrazol-2-ium-2-yl]benzenesulfonic acid Traditional Name: 4-[(4Z)-5-hydroxy-4-(methylhydrazono)-3-methylimino-1-pyrazolin-1-ium-1-yl]besylic acid Formula: C11H14N5O4S+ MolecularWeight: 312.32496

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Descriptors Computed from Structure

Canonical SMILES:

CNN=C1C([N+](=NC1=NC)C2=CC=C(C=C2)S(=O)(=O)O)O

Isomeric SMILES

CN/N=C/1\C([N+](=NC1=NC)C2=CC=C(C=C2)S(=O)(=O)O)O

InChI

InChI=1S/C11H13N5O4S/c1-12-10-9(14-13-2)11(17)16(15-10)7-3-5-8(6-4-7)21(18,19)20/h3-6,11,13,17H,1-2H3/p+1/b12-10?,14-9-