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

Systemtic Name: methyl 17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-carboxylate Openeye Name: methyl 17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-carboxylate CAS Name: 17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-carboxylic acid methyl ester IUPAC Name: methyl 17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-carboxylate Traditional Name: 5-mesityl-17,17-dimethyl-22,23-dihydro-18H-porphine-2-carboxylic acid methyl ester Formula: C33H32N4O2 MolecularWeight: 516.63278

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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)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)C(=O)OC)C

InChI

InChI=1S/C33H32N4O2/c1-18-11-19(2)30(20(3)12-18)31-26-10-9-22(35-26)13-21-7-8-23(34-21)15-29-33(4,5)17-24(36-29)14-27-25(32(38)39-6)16-28(31)37-27/h7-16,34-35H,17H2,1-6H3