(3E)-3-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: (3E)-3-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: (3E)-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazono]-4-oxo-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: (3E)-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: (3E)-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-4-oxocyclohexa-1,5-diene-1-sulfonic acid Traditional Name: (3E)-4-keto-3-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)hydrazono]cyclohexa-1,5-diene-1-sulfonic acid Formula: C16H14N4O5S MolecularWeight: 374.37116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1NN=C2C=C(C=CC2=O)S(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1N/N=C/2\C=C(C=CC2=O)S(=O)(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H14N4O5S/c1-10-15(16(22)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(26(23,24)25)7-8-14(13)21/h2-9,15,18H,1H3,(H,23,24,25)/b17-13+