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

Systemtic Name: 2-trimethylsilylethyl 4-[13,13-dimethyl-20-(4-methylphenyl)-12-oxidanyl-22,24-dihydro-12H-porphyrin-5-yl]benzoate Openeye Name: 2-trimethylsilylethyl 4-[12-hydroxy-13,13-dimethyl-20-(p-tolyl)-22,24-dihydro-12H-porphyrin-5-yl]benzoate CAS Name: 4-[12-hydroxy-13,13-dimethyl-20-(4-methylphenyl)-22,24-dihydro-12H-porphyrin-5-yl]benzoic acid 2-trimethylsilylethyl ester IUPAC Name: 2-trimethylsilylethyl 4-[12-hydroxy-13,13-dimethyl-20-(4-methylphenyl)-22,24-dihydro-12H-porphyrin-5-yl]benzoate Traditional Name: 4-[12-hydroxy-13,13-dimethyl-20-(p-tolyl)-22,24-dihydro-12H-porphin-5-yl]benzoic acid 2-trimethylsilylethyl ester Formula: C41H42N4O3Si MolecularWeight: 666.88268

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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(C5O)(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(C5O)(C)C)N4)C7=CC=C(C=C7)C(=O)OCC[Si](C)(C)C

InChI

InChI=1S/C41H42N4O3Si/c1-25-7-9-26(10-8-25)37-32-18-16-30(43-32)24-36-41(2,3)39(46)35(45-36)23-29-15-17-31(42-29)38(34-20-19-33(37)44-34)27-11-13-28(14-12-27)40(47)48-21-22-49(4,5)6/h7-20,23-24,39,42-43,46H,21-22H2,1-6H3