zinc 5-bromanyl-3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)porphyrin-22-id-2-olate

Systemtic Name: zinc 5-bromanyl-3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)porphyrin-22-id-2-olate Openeye Name: zinc 5-bromo-3,3-dimethyl-10-(p-tolyl)-15-(2,4,6-trimethylphenyl)porphyrin-22-id-2-olate CAS Name: zinc 5-bromo-3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)-2-porphyrin-22-idolate IUPAC Name: zinc 5-bromo-3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)porphyrin-22-id-2-olate Traditional Name: zinc 5-bromo-15-mesityl-3,3-dimethyl-10-(p-tolyl)porphin-22-id-2-olate Formula: C38H31BrN4OZn MolecularWeight: 704.99194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C4(C)C)[O-])C=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)Br)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C4(C)C)[O-])C=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)Br)[N-]3.[Zn+2]

InChI

InChI=1S/C38H32BrN4O.Zn/c1-20-7-9-24(10-8-20)33-26-13-14-29(41-26)34(32-22(3)17-21(2)18-23(32)4)28-12-11-25(40-28)19-31-37(44)38(5,6)36(43-31)35(39)30-16-15-27(33)42-30;/h7-19H,1-6H3,(H-,40,41,42,43,44);/q-1;+2/p-1