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

Systemtic Name: dimethyl 17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2,20-dicarboxylate Openeye Name: dimethyl 17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2,20-dicarboxylate CAS Name: 17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2,20-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2,20-dicarboxylate Traditional Name: 5-mesityl-17,17-dimethyl-22,23-dihydro-18H-porphine-2,20-dicarboxylic acid dimethyl ester Formula: C35H34N4O4 MolecularWeight: 574.66886

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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(=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(=O)OC)C

InChI

InChI=1S/C35H34N4O4/c1-18-12-19(2)29(20(3)13-18)30-25-11-10-22(37-25)14-21-8-9-23(36-21)15-28-35(4,5)17-27(38-28)31(34(41)43-7)32-24(33(40)42-6)16-26(30)39-32/h8-16,36-37H,17H2,1-7H3