chromium; (5E)-5-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-3-nitro-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: chromium; (5E)-5-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-3-nitro-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: chromium; (5E)-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazono]-3-nitro-6-oxo-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: chromium; (5E)-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-3-nitro-6-oxo-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: chromium; (5E)-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-3-nitro-6-oxocyclohexa-1,3-diene-1-sulfonic acid Traditional Name: chromium; (5E)-6-keto-5-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)hydrazono]-3-nitro-cyclohexa-1,3-diene-1-sulfonic acid Formula: C32H26CrN10O14S2 MolecularWeight: 890.73354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1NN=C2C=C(C=C(C2=O)S(=O)(=O)O)[N+](=O)[O-])C3=CC=CC=C3.CC1=NN(C(=O)C1NN=C2C=C(C=C(C2=O)S(=O)(=O)O)[N+](=O)[O-])C3=CC=CC=C3.[Cr]

Isomeric SMILES

CC1=NN(C(=O)C1N/N=C\2/C(=O)C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)O)C3=CC=CC=C3.CC1=NN(C(=O)C1N/N=C\2/C(=O)C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)O)C3=CC=CC=C3.[Cr]

InChI

InChI=1S/2C16H13N5O7S.Cr/c2*1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(24)25)8-13(15(12)22)29(26,27)28;/h2*2-8,14,18H,1H3,(H,26,27,28);/b2*17-12+;