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

Systemtic Name: zinc 2-trimethylsilylethyl 4-[13,13-dimethyl-20-(4-methylphenyl)-12-oxidanyl-12H-porphyrin-22,24-diid-5-yl]benzoate Openeye Name: zinc 2-trimethylsilylethyl 4-[12-hydroxy-13,13-dimethyl-20-(p-tolyl)-12H-porphyrin-22,24-diid-5-yl]benzoate CAS Name: zinc 4-[12-hydroxy-13,13-dimethyl-20-(4-methylphenyl)-12H-porphyrin-22,24-diid-5-yl]benzoic acid 2-trimethylsilylethyl ester IUPAC Name: zinc 2-trimethylsilylethyl 4-[12-hydroxy-13,13-dimethyl-20-(4-methylphenyl)-12H-porphyrin-22,24-diid-5-yl]benzoate Traditional Name: zinc 4-[12-hydroxy-13,13-dimethyl-20-(p-tolyl)-12H-porphine-22,24-diid-5-yl]benzoic acid 2-trimethylsilylethyl ester Formula: C41H40N4O3SiZn MolecularWeight: 730.2758

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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=C2[N-]6)C(C5O)(C)C)[N-]4)C7=CC=C(C=C7)C(=O)OCC[Si](C)(C)C.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=CC6=CC=C2[N-]6)C(C5O)(C)C)[N-]4)C7=CC=C(C=C7)C(=O)OCC[Si](C)(C)C.[Zn+2]

InChI

InChI=1S/C41H41N4O3Si.Zn/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;/h7-20,23-24,39,46H,21-22H2,1-6H3,(H-,42,43,44,45,47);/q-1;+2/p-1