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

Systemtic Name: sodium; cobalt(3+); 5-methyl-2-(4-methylphenyl)-4-[[5-(methylsulfamoyl)-2-oxidanidyl-phenyl]diazenyl]pyrazol-3-olate Openeye Name: cobaltic sodium 5-methyl-4-[5-(methylsulfamoyl)-2-oxido-phenyl]azo-2-(p-tolyl)pyrazol-3-olate CAS Name: sodium; cobalt(3+); 5-methyl-2-(4-methylphenyl)-4-[5-(methylsulfamoyl)-2-oxidophenyl]azo-3-pyrazololate IUPAC Name: sodium; cobalt(3+); 5-methyl-2-(4-methylphenyl)-4-[[5-(methylsulfamoyl)-2-oxidophenyl]diazenyl]pyrazol-3-olate Traditional Name: cobaltic sodium 5-methyl-4-[5-(methylsulfamoyl)-2-oxido-phenyl]azo-2-(p-tolyl)pyrazol-3-olate Formula: C36H34CoN10NaO8S2 MolecularWeight: 880.77033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)NC)[O-])[O-].CC1=CC=C(C=C1)N2C(=C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)NC)[O-])[O-].[Na+].[Co+3]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)NC)[O-])[O-].CC1=CC=C(C=C1)N2C(=C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)NC)[O-])[O-].[Na+].[Co+3]

InChI

InChI=1S/2C18H19N5O4S.Co.Na/c2*1-11-4-6-13(7-5-11)23-18(25)17(12(2)22-23)21-20-15-10-14(8-9-16(15)24)28(26,27)19-3;;/h2*4-10,19,24-25H,1-3H3;;/q;;+3;+1/p-4