methyl 4-[17-methanoyl-10,15,20-tris(4-methoxycarbonylphenyl)-21,24-dihydroporphyrin-5-yl]benzoate

Systemtic Name: methyl 4-[17-methanoyl-10,15,20-tris(4-methoxycarbonylphenyl)-21,24-dihydroporphyrin-5-yl]benzoate Openeye Name: methyl 4-[17-formyl-10,15,20-tris(4-methoxycarbonylphenyl)-21,24-dihydroporphyrin-5-yl]benzoate CAS Name: 4-[17-formyl-10,15,20-tris(4-methoxycarbonylphenyl)-21,24-dihydroporphyrin-5-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[17-formyl-10,15,20-tris(4-methoxycarbonylphenyl)-21,24-dihydroporphyrin-5-yl]benzoate Traditional Name: 4-[10,15,20-tris(4-carbomethoxyphenyl)-17-formyl-21,24-dihydroporphin-5-yl]benzoic acid methyl ester Formula: C53H38N4O9 MolecularWeight: 874.89022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)OC)C8=CC=C(C=C8)C(=O)OC)C=O)C9=CC=C(C=C9)C(=O)OC)N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)OC)C8=CC=C(C=C8)C(=O)OC)C=O)C9=CC=C(C=C9)C(=O)OC)N3

InChI

InChI=1S/C53H38N4O9/c1-63-50(59)33-13-5-29(6-14-33)45-38-21-22-39(54-38)46(30-7-15-34(16-8-30)51(60)64-2)41-25-26-43(56-41)48(32-11-19-36(20-12-32)53(62)66-4)49-37(28-58)27-44(57-49)47(42-24-23-40(45)55-42)31-9-17-35(18-10-31)52(61)65-3/h5-28,55,57H,1-4H3