1-[8-bromanyl-12-ethanoyl-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone

Systemtic Name: 1-[8-bromanyl-12-ethanoyl-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone Openeye Name: 1-[12-acetyl-8-bromo-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone CAS Name: 1-[12-acetyl-8-bromo-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone IUPAC Name: 1-[12-acetyl-8-bromo-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]ethanone Traditional Name: 1-(12-acetyl-8-bromo-5-mesityl-17,17-dimethyl-22,23-dihydro-18H-porphin-2-yl)ethanone Formula: C35H33BrN4O2 MolecularWeight: 621.56612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H33BrN4O2/c1-17-8-18(2)33(19(3)9-17)34-30-13-25(21(5)42)27(39-30)11-23-16-35(6,7)32(38-23)12-22-10-24(20(4)41)28(37-22)15-29-26(36)14-31(34)40-29/h8-15,37,40H,16H2,1-7H3