cobalt(3+); N,N-dimethyl-4-nitroso-aniline; 5,10,15,20-tetraphenylporphyrin-22,24-diide

Systemtic Name: cobalt(3+); N,N-dimethyl-4-nitroso-aniline; 5,10,15,20-tetraphenylporphyrin-22,24-diide Openeye Name: cobaltic; N,N-dimethyl-4-nitroso-aniline; 5,10,15,20-tetraphenylporphyrin-22,24-diide CAS Name: cobalt(3+); N,N-dimethyl-4-nitrosoaniline; 5,10,15,20-tetraphenylporphyrin-22,24-diide IUPAC Name: cobalt(3+); N,N-dimethyl-4-nitrosoaniline; 5,10,15,20-tetraphenylporphyrin-22,24-diide Traditional Name: cobaltic; dimethyl-(4-nitrosophenyl)amine; 5,10,15,20-tetraphenylporphine-22,24-diide Formula: C60H48CoN8O2+ MolecularWeight: 972.00872

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N=O.CN(C)C1=CC=C(C=C1)N=O.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Co+3]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N=O.CN(C)C1=CC=C(C=C1)N=O.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Co+3]

InChI

InChI=1S/C44H28N4.2C8H10N2O.Co/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;2*1-10(2)8-5-3-7(9-11)4-6-8;/h1-28H;2*3-6H,1-2H3;/q-2;;;+3