copper 5,10,15,20-tetrakis(2-chlorophenyl)porphyrin-22,23-diide

Systemtic Name: copper 5,10,15,20-tetrakis(2-chlorophenyl)porphyrin-22,23-diide Openeye Name: copper 5,10,15,20-tetrakis(2-chlorophenyl)porphyrin-22,23-diide CAS Name: copper 5,10,15,20-tetrakis(2-chlorophenyl)porphyrin-22,23-diide IUPAC Name: copper 5,10,15,20-tetrakis(2-chlorophenyl)porphyrin-22,23-diide Traditional Name: cupric 5,10,15,20-tetrakis(2-chlorophenyl)porphine-22,23-diide Formula: C44H24Cl4CuN4 MolecularWeight: 814.04616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7Cl)C8=CC=CC=C8Cl)C9=CC=CC=C9Cl)[N-]3)Cl.[Cu+2]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7Cl)C8=CC=CC=C8Cl)C9=CC=CC=C9Cl)[N-]3)Cl.[Cu+2]

InChI

InChI=1S/C44H24Cl4N4.Cu/c45-29-13-5-1-9-25(29)41-33-17-19-35(49-33)42(26-10-2-6-14-30(26)46)37-21-23-39(51-37)44(28-12-4-8-16-32(28)48)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-11-3-7-15-31(27)47;/h1-24H;/q-2;+2