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

Systemtic Name: sodium; 2-(4-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-2-oxidanidyl-phenyl)diazenyl]pyrazol-3-olate; cobalt(3+) Openeye Name: cobaltic sodium 2-(4-chlorophenyl)-5-methyl-4-(5-methylsulfonyl-2-oxido-phenyl)azo-pyrazol-3-olate CAS Name: sodium; 2-(4-chlorophenyl)-5-methyl-4-(5-methylsulfonyl-2-oxidophenyl)azo-3-pyrazololate; cobalt(3+) IUPAC Name: sodium; 2-(4-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]pyrazol-3-olate; cobalt(3+) Traditional Name: cobaltic sodium 2-(4-chlorophenyl)-4-(5-mesyl-2-oxido-phenyl)azo-5-methyl-pyrazol-3-olate Formula: C34H26Cl2CoN8NaO8S2 MolecularWeight: 891.57801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H15ClN4O4S.Co.Na/c2*1-10-16(17(24)22(21-10)12-5-3-11(18)4-6-12)20-19-14-9-13(27(2,25)26)7-8-15(14)23;;/h2*3-9,23-24H,1-2H3;;/q;;+3;+1/p-4