5-[bis(oxidanidyl)amino]-3-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 5-[bis(oxidanidyl)amino]-3-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 5-(dioxidoamino)-3-[[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]hydrazono]-4-oxo-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 5-(dioxidoamino)-3-[[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 5-(dioxidoamino)-3-[[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]hydrazinylidene]-4-oxocyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 5-(dioxidoamino)-4-keto-3-[[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]hydrazono]cyclohexa-1,5-diene-1-sulfonic acid Formula: C17H13N5O7S-2 MolecularWeight: 431.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=NN=C3C=C(C=C(C3=O)N([O-])[O-])S(=O)(=O)O)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=NN=C3C=C(C=C(C3=O)N([O-])[O-])S(=O)(=O)O)C(=N2)C

InChI

InChI=1S/C17H13N5O7S/c1-9-3-5-11(6-4-9)21-17(24)15(10(2)20-21)19-18-13-7-12(30(27,28)29)8-14(16(13)23)22(25)26/h3-8H,1-2H3,(H,27,28,29)/q-2