12-bromanyl-3,3-dimethyl-15-(4-methylphenyl)-22,24-dihydro-2H-porphyrin

Systemtic Name: 12-bromanyl-3,3-dimethyl-15-(4-methylphenyl)-22,24-dihydro-2H-porphyrin Openeye Name: 12-bromo-3,3-dimethyl-15-(p-tolyl)-22,24-dihydro-2H-porphyrin CAS Name: 12-bromo-3,3-dimethyl-15-(4-methylphenyl)-22,24-dihydro-2H-porphyrin IUPAC Name: 12-bromo-3,3-dimethyl-15-(4-methylphenyl)-22,24-dihydro-2H-porphyrin Traditional Name: 12-bromo-3,3-dimethyl-15-(p-tolyl)-22,24-dihydro-2H-porphine Formula: C29H25BrN4 MolecularWeight: 509.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C(=N3)C=C4C=CC(=CC5=NC(=CC6=CC=C2N6)CC5(C)C)N4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C(=N3)C=C4C=CC(=CC5=NC(=CC6=CC=C2N6)CC5(C)C)N4)Br

InChI

InChI=1S/C29H25BrN4/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/h4-15,31-32H,16H2,1-3H3