1-[20-bromanyl-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone

Systemtic Name: 1-[20-bromanyl-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone Openeye Name: 1-[20-bromo-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone CAS Name: 1-[20-bromo-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone IUPAC Name: 1-[20-bromo-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone Traditional Name: 1-(20-bromo-5-mesityl-17,17-dimethyl-22,23-dihydro-18H-porphin-2-yl)ethanone Formula: C33H31BrN4O MolecularWeight: 579.52944

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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(=O)C)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(=O)C)C

InChI

InChI=1S/C33H31BrN4O/c1-17-11-18(2)29(19(3)12-17)30-25-10-9-22(36-25)13-21-7-8-23(35-21)14-28-33(5,6)16-27(37-28)31(34)32-24(20(4)39)15-26(30)38-32/h7-15,35-36H,16H2,1-6H3