copper 23-methyl-5,10,15,20-tetraphenyl-21H-porphyrin hydroxide

Systemtic Name: copper 23-methyl-5,10,15,20-tetraphenyl-21H-porphyrin hydroxide Openeye Name: copper 23-methyl-5,10,15,20-tetraphenyl-21H-porphyrin hydroxide CAS Name: copper 23-methyl-5,10,15,20-tetraphenyl-21H-porphyrin hydroxide IUPAC Name: copper 23-methyl-5,10,15,20-tetraphenyl-21H-porphyrin hydroxide Traditional Name: cupric 23-methyl-5,10,15,20-tetraphenyl-21H-porphine hydroxide Formula: C45H33CuN4O+ MolecularWeight: 709.31572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=C1C(=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C2C6=CC=CC=C6)C=C5)C7=CC=CC=C7)N4)C8=CC=CC=C8)C9=CC=CC=C9.[OH-].[Cu+2]

Isomeric SMILES

CN1C2=CC=C1C(=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C2C6=CC=CC=C6)C=C5)C7=CC=CC=C7)N4)C8=CC=CC=C8)C9=CC=CC=C9.[OH-].[Cu+2]

InChI

InChI=1S/C45H32N4.Cu.H2O/c1-49-40-28-29-41(49)45(33-20-12-5-13-21-33)39-27-25-37(48-39)43(31-16-8-3-9-17-31)35-23-22-34(46-35)42(30-14-6-2-7-15-30)36-24-26-38(47-36)44(40)32-18-10-4-11-19-32;;/h2-29,46H,1H3;;1H2/q;+2;/p-1