diethyl 10,15-bis(2,4,6-trimethylphenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate

Systemtic Name: diethyl 10,15-bis(2,4,6-trimethylphenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate Openeye Name: diethyl 10,15-bis(2,4,6-trimethylphenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate CAS Name: 10,15-bis(2,4,6-trimethylphenyl)-22,24-dihydroporphyrin-2,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 10,15-bis(2,4,6-trimethylphenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate Traditional Name: 10,15-dimesityl-22,24-dihydroporphine-2,3-dicarboxylic acid diethyl ester Formula: C44H42N4O4 MolecularWeight: 690.82868

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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=C(C=C(C=C6C)C)C)C7=C(C=C(C=C7C)C)C)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=C(C=C(C=C6C)C)C)C7=C(C=C(C=C7C)C)C)C(=O)OCC

InChI

InChI=1S/C44H42N4O4/c1-9-51-43(49)41-35-21-29-11-13-31(45-29)39(37-25(5)17-23(3)18-26(37)6)33-15-16-34(47-33)40(38-27(7)19-24(4)20-28(38)8)32-14-12-30(46-32)22-36(48-35)42(41)44(50)52-10-2/h11-22,45-46H,9-10H2,1-8H3