sodium; chromium(3+); 5-methyl-4-[[5-(methylsulfamoyl)-2-oxidanidyl-phenyl]diazenyl]-2-phenyl-pyrazol-3-olate

Systemtic Name: sodium; chromium(3+); 5-methyl-4-[[5-(methylsulfamoyl)-2-oxidanidyl-phenyl]diazenyl]-2-phenyl-pyrazol-3-olate Openeye Name: chromic sodium 5-methyl-4-[5-(methylsulfamoyl)-2-oxido-phenyl]azo-2-phenyl-pyrazol-3-olate CAS Name: sodium; chromium(3+); 5-methyl-4-[5-(methylsulfamoyl)-2-oxidophenyl]azo-2-phenyl-3-pyrazololate IUPAC Name: sodium; chromium(3+); 5-methyl-4-[[5-(methylsulfamoyl)-2-oxidophenyl]diazenyl]-2-phenylpyrazol-3-olate Traditional Name: chromic sodium 5-methyl-4-[5-(methylsulfamoyl)-2-oxido-phenyl]azo-2-phenyl-pyrazol-3-olate Formula: C34H30CrN10NaO8S2 MolecularWeight: 845.78007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)NC)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)NC)[O-])[O-])C3=CC=CC=C3.[Na+].[Cr+3]

Isomeric SMILES

CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)NC)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)NC)[O-])[O-])C3=CC=CC=C3.[Na+].[Cr+3]

InChI

InChI=1S/2C17H17N5O4S.Cr.Na/c2*1-11-16(17(24)22(21-11)12-6-4-3-5-7-12)20-19-14-10-13(8-9-15(14)23)27(25,26)18-2;;/h2*3-10,18,23-24H,1-2H3;;/q;;+3;+1/p-4