18-bromanyl-3,3-dimethyl-15-(2,4,6-trimethylphenyl)-22,23-dihydro-2H-porphyrin

Systemtic Name: 18-bromanyl-3,3-dimethyl-15-(2,4,6-trimethylphenyl)-22,23-dihydro-2H-porphyrin Openeye Name: 18-bromo-3,3-dimethyl-15-(2,4,6-trimethylphenyl)-22,23-dihydro-2H-porphyrin CAS Name: 18-bromo-3,3-dimethyl-15-(2,4,6-trimethylphenyl)-22,23-dihydro-2H-porphyrin IUPAC Name: 18-bromo-3,3-dimethyl-15-(2,4,6-trimethylphenyl)-22,23-dihydro-2H-porphyrin Traditional Name: 18-bromo-15-mesityl-3,3-dimethyl-22,23-dihydro-2H-porphine Formula: C31H29BrN4 MolecularWeight: 537.49276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=C(C(=N3)C=C4CC(C(=N4)C=C5C=CC(=CC6=CC=C2N6)N5)(C)C)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=C(C(=N3)C=C4CC(C(=N4)C=C5C=CC(=CC6=CC=C2N6)N5)(C)C)Br)C

InChI

InChI=1S/C31H29BrN4/c1-17-10-18(2)29(19(3)11-17)30-25-9-8-21(34-25)12-20-6-7-22(33-20)14-28-31(4,5)16-23(35-28)13-26-24(32)15-27(30)36-26/h6-15,33-34H,16H2,1-5H3