2-trimethylsilylethyl 4-[13,13-dimethyl-20-(4-methylphenyl)-22,24-dihydro-12H-porphyrin-5-yl]benzoate

Systemtic Name: 2-trimethylsilylethyl 4-[13,13-dimethyl-20-(4-methylphenyl)-22,24-dihydro-12H-porphyrin-5-yl]benzoate Openeye Name: 2-trimethylsilylethyl 4-[13,13-dimethyl-20-(p-tolyl)-22,24-dihydro-12H-porphyrin-5-yl]benzoate CAS Name: 4-[13,13-dimethyl-20-(4-methylphenyl)-22,24-dihydro-12H-porphyrin-5-yl]benzoic acid 2-trimethylsilylethyl ester IUPAC Name: 2-trimethylsilylethyl 4-[13,13-dimethyl-20-(4-methylphenyl)-22,24-dihydro-12H-porphyrin-5-yl]benzoate Traditional Name: 4-[13,13-dimethyl-20-(p-tolyl)-22,24-dihydro-12H-porphin-5-yl]benzoic acid 2-trimethylsilylethyl ester Formula: C41H42N4O2Si MolecularWeight: 650.88328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=CC6=CC=C2N6)C(C5)(C)C)N4)C7=CC=C(C=C7)C(=O)OCC[Si](C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=CC6=CC=C2N6)C(C5)(C)C)N4)C7=CC=C(C=C7)C(=O)OCC[Si](C)(C)C

InChI

InChI=1S/C41H42N4O2Si/c1-26-7-9-27(10-8-26)38-34-18-16-31(43-34)24-37-41(2,3)25-32(44-37)23-30-15-17-33(42-30)39(36-20-19-35(38)45-36)28-11-13-29(14-12-28)40(46)47-21-22-48(4,5)6/h7-20,23-24,42-43H,21-22,25H2,1-6H3