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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N)[O-])N=NC2=C(N(N=C2C)C3=CC=CC=C3)[O-].CC1=CC(=C(C=C1S(=O)(=O)N)[O-])N=NC2=C(N(N=C2C)C3=CC=CC=C3)[O-].[Na+].[Cr+3]

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N)[O-])N=NC2=C(N(N=C2C)C3=CC=CC=C3)[O-].CC1=CC(=C(C=C1S(=O)(=O)N)[O-])N=NC2=C(N(N=C2C)C3=CC=CC=C3)[O-].[Na+].[Cr+3]

InChI

InChI=1S/2C17H17N5O4S.Cr.Na/c2*1-10-8-13(14(23)9-15(10)27(18,25)26)19-20-16-11(2)21-22(17(16)24)12-6-4-3-5-7-12;;/h2*3-9,23-24H,1-2H3,(H2,18,25,26);;/q;;+3;+1/p-4