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

Systemtic Name: 5-[bis(oxidanidyl)amino]-3-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 5-(dioxidoamino)-3-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazono]-4-oxo-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 5-(dioxidoamino)-3-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 5-(dioxidoamino)-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinylidene]-4-oxocyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 5-(dioxidoamino)-4-keto-3-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)hydrazono]cyclohexa-1,5-diene-1-sulfonic acid Formula: C16H11N5O7S-2 MolecularWeight: 417.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NN=C2C=C(C=C(C2=O)N([O-])[O-])S(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1=NN=C2C=C(C=C(C2=O)N([O-])[O-])S(=O)(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H11N5O7S/c1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(29(26,27)28)8-13(15(12)22)21(24)25/h2-8H,1H3,(H,26,27,28)/q-2