diethyl 10,15-bis(3,4,5-trimethoxyphenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate

Systemtic Name: diethyl 10,15-bis(3,4,5-trimethoxyphenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate Openeye Name: diethyl 10,15-bis(3,4,5-trimethoxyphenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate CAS Name: 10,15-bis(3,4,5-trimethoxyphenyl)-22,24-dihydroporphyrin-2,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 10,15-bis(3,4,5-trimethoxyphenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate Traditional Name: 10,15-bis(3,4,5-trimethoxyphenyl)-22,24-dihydroporphine-2,3-dicarboxylic acid diethyl ester Formula: C44H42N4O10 MolecularWeight: 786.82508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=NC1=CC3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2)N5)C6=CC(=C(C(=C6)OC)OC)OC)C7=CC(=C(C(=C7)OC)OC)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C2=NC1=CC3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2)N5)C6=CC(=C(C(=C6)OC)OC)OC)C7=CC(=C(C(=C7)OC)OC)OC)C(=O)OCC

InChI

InChI=1S/C44H42N4O10/c1-9-57-43(49)39-31-21-25-11-13-27(45-25)37(23-17-33(51-3)41(55-7)34(18-23)52-4)29-15-16-30(47-29)38(24-19-35(53-5)42(56-8)36(20-24)54-6)28-14-12-26(46-28)22-32(48-31)40(39)44(50)58-10-2/h11-22,45-46H,9-10H2,1-8H3