carbanide; chromium(4+); 5,10,15,20-tetraphenylporphyrin-22,24-diide

Systemtic Name: carbanide; chromium(4+); 5,10,15,20-tetraphenylporphyrin-22,24-diide Openeye Name: carbanide; chromium(4+); 5,10,15,20-tetraphenylporphyrin-22,24-diide CAS Name: carbanide; chromium(4+); 5,10,15,20-tetraphenylporphyrin-22,24-diide IUPAC Name: carbanide; chromium(4+); 5,10,15,20-tetraphenylporphyrin-22,24-diide Traditional Name: carbanide; chromium(4+); 5,10,15,20-tetraphenylporphine-22,24-diide Formula: C46H34CrN4 MolecularWeight: 694.78506

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].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.[Cr+4]

Isomeric SMILES

[CH3-].[CH3-].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.[Cr+4]

InChI

InChI=1S/C44H28N4.2CH3.Cr/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;;;/h1-28H;2*1H3;/q-2;2*-1;+4