1-[8-bromanyl-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone

Systemtic Name: 1-[8-bromanyl-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone Openeye Name: 1-[8-bromo-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone CAS Name: 1-[8-bromo-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone IUPAC Name: 1-[8-bromo-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone Traditional Name: 1-(8-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=C(C=C2N6)Br)N5)(C)C)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=C(C=C2N6)Br)N5)(C)C)C(=O)C)C

InChI

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