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

Systemtic Name: methyl 4-[10,15,20-tris(4-methoxycarbonylphenyl)-21,24-dihydroporphyrin-5-yl]benzoate Openeye Name: methyl 4-[10,15,20-tris(4-methoxycarbonylphenyl)-21,24-dihydroporphyrin-5-yl]benzoate CAS Name: 4-[10,15,20-tris(4-methoxycarbonylphenyl)-21,24-dihydroporphyrin-5-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[10,15,20-tris(4-methoxycarbonylphenyl)-21,24-dihydroporphyrin-5-yl]benzoate Traditional Name: 4-[10,15,20-tris(4-carbomethoxyphenyl)-21,24-dihydroporphin-5-yl]benzoic acid methyl ester Formula: C52H38N4O8 MolecularWeight: 846.88012

Click to see the large picture

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)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)C9=CC=C(C=C9)C(=O)OC)N3

InChI

InChI=1S/C52H38N4O8/c1-61-49(57)33-13-5-29(6-14-33)45-37-21-23-39(53-37)46(30-7-15-34(16-8-30)50(58)62-2)41-25-27-43(55-41)48(32-11-19-36(20-12-32)52(60)64-4)44-28-26-42(56-44)47(40-24-22-38(45)54-40)31-9-17-35(18-10-31)51(59)63-3/h5-28,53-54H,1-4H3