methyl 20-bromanyl-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-carboxylate

Systemtic Name: methyl 20-bromanyl-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-carboxylate Openeye Name: methyl 20-bromo-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-carboxylate CAS Name: 20-bromo-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-carboxylic acid methyl ester IUPAC Name: methyl 20-bromo-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-carboxylate Traditional Name: 20-bromo-5-mesityl-17,17-dimethyl-22,23-dihydro-18H-porphine-2-carboxylic acid methyl ester Formula: C33H31BrN4O2 MolecularWeight: 595.52884

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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)OC)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)OC)C

InChI

InChI=1S/C33H31BrN4O2/c1-17-11-18(2)28(19(3)12-17)29-24-10-9-21(36-24)13-20-7-8-22(35-20)14-27-33(4,5)16-26(37-27)30(34)31-23(32(39)40-6)15-25(29)38-31/h7-15,35-36H,16H2,1-6H3