8-acetamido-1-[[5-(methylsulfamoyl)-2-oxidanidyl-phenyl]diazenyl]naphthalen-2-olate; cobalt(3+); hydron; propan-2-amine

Systemtic Name: 8-acetamido-1-[[5-(methylsulfamoyl)-2-oxidanidyl-phenyl]diazenyl]naphthalen-2-olate; cobalt(3+); hydron; propan-2-amine Openeye Name: cobaltic; 8-acetamido-1-[5-(methylsulfamoyl)-2-oxido-phenyl]azo-naphthalen-2-olate; hydron; propan-2-amine CAS Name: 8-acetamido-1-[5-(methylsulfamoyl)-2-oxidophenyl]azo-2-naphthalenolate; cobalt(3+); hydron; 2-propanamine IUPAC Name: 8-acetamido-1-[[5-(methylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate; cobalt(3+); hydron; propan-2-amine Traditional Name: cobaltic; 8-acetamido-1-[5-(methylsulfamoyl)-2-oxido-phenyl]azo-naphthalen-2-olate; hydron; isopropylamine Formula: C41H42CoN9O10S2 MolecularWeight: 943.88968

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC(C)N.CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)NC)[O-].CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)NC)[O-].[Co+3]

Isomeric SMILES

[H+].CC(C)N.CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)NC)[O-].CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)NC)[O-].[Co+3]

InChI

InChI=1S/2C19H18N4O5S.C3H9N.Co/c2*1-11(24)21-14-5-3-4-12-6-8-17(26)19(18(12)14)23-22-15-10-13(7-9-16(15)25)29(27,28)20-2;1-3(2)4;/h2*3-10,20,25-26H,1-2H3,(H,21,24);3H,4H2,1-2H3;/q;;;+3/p-3