zinc 12-bromanyl-3,3-dimethyl-15-(4-methylphenyl)-2H-porphyrin-23,24-diide

Systemtic Name: zinc 12-bromanyl-3,3-dimethyl-15-(4-methylphenyl)-2H-porphyrin-23,24-diide Openeye Name: zinc 12-bromo-3,3-dimethyl-15-(p-tolyl)-2H-porphyrin-23,24-diide CAS Name: zinc 12-bromo-3,3-dimethyl-15-(4-methylphenyl)-2H-porphyrin-23,24-diide IUPAC Name: zinc 12-bromo-3,3-dimethyl-15-(4-methylphenyl)-2H-porphyrin-23,24-diide Traditional Name: zinc 12-bromo-3,3-dimethyl-15-(p-tolyl)-2H-porphine-23,24-diide Formula: C29H23BrN4Zn MolecularWeight: 572.83272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=CC5=NC(=CC6=C(C=C2[N-]6)Br)C=C5)C(C4)(C)C)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=CC5=NC(=CC6=C(C=C2[N-]6)Br)C=C5)C(C4)(C)C)[N-]3.[Zn+2]

InChI

InChI=1S/C29H23BrN4.Zn/c1-17-4-6-18(7-5-17)28-24-11-10-19(32-24)12-22-16-29(2,3)27(33-22)14-21-9-8-20(31-21)13-25-23(30)15-26(28)34-25;/h4-15H,16H2,1-3H3;/q-2;+2