8-bromanyl-3,3-dimethyl-15-(2,4,6-trimethylphenyl)-22,24-dihydro-2H-porphyrin

Systemtic Name: 8-bromanyl-3,3-dimethyl-15-(2,4,6-trimethylphenyl)-22,24-dihydro-2H-porphyrin Openeye Name: 8-bromo-3,3-dimethyl-15-(2,4,6-trimethylphenyl)-22,24-dihydro-2H-porphyrin CAS Name: 8-bromo-3,3-dimethyl-15-(2,4,6-trimethylphenyl)-22,24-dihydro-2H-porphyrin IUPAC Name: 8-bromo-3,3-dimethyl-15-(2,4,6-trimethylphenyl)-22,24-dihydro-2H-porphyrin Traditional Name: 8-bromo-15-mesityl-3,3-dimethyl-22,24-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=CC(=CC4=NC(=CC5=CC(=C(N5)C=C6C=CC2=N6)Br)C(C4)(C)C)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC4=NC(=CC5=CC(=C(N5)C=C6C=CC2=N6)Br)C(C4)(C)C)N3)C

InChI

InChI=1S/C31H29BrN4/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/h6-15,33,35H,16H2,1-5H3