zinc 8-bromanyl-3,3-dimethyl-15-(2,4,6-trimethylphenyl)-2H-porphyrin-23,24-diide

Systemtic Name: zinc 8-bromanyl-3,3-dimethyl-15-(2,4,6-trimethylphenyl)-2H-porphyrin-23,24-diide Openeye Name: zinc 8-bromo-3,3-dimethyl-15-(2,4,6-trimethylphenyl)-2H-porphyrin-23,24-diide CAS Name: zinc 8-bromo-3,3-dimethyl-15-(2,4,6-trimethylphenyl)-2H-porphyrin-23,24-diide IUPAC Name: zinc 8-bromo-3,3-dimethyl-15-(2,4,6-trimethylphenyl)-2H-porphyrin-23,24-diide Traditional Name: zinc 8-bromo-15-mesityl-3,3-dimethyl-2H-porphine-23,24-diide Formula: C31H27BrN4Zn MolecularWeight: 600.88588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC4=NC(=CC5=NC(=CC6=CC=C2[N-]6)CC5(C)C)C=C4Br)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC4=NC(=CC5=NC(=CC6=CC=C2[N-]6)CC5(C)C)C=C4Br)[N-]3)C.[Zn+2]

InChI

InChI=1S/C31H27BrN4.Zn/c1-17-10-18(2)29(19(3)11-17)30-25-8-6-20(33-25)12-23-16-31(4,5)28(36-23)15-22-13-24(32)27(35-22)14-21-7-9-26(30)34-21;/h6-15H,16H2,1-5H3;/q-2;+2