dimethyl 10,15-bis(4-cyanophenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate

Systemtic Name: dimethyl 10,15-bis(4-cyanophenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate Openeye Name: dimethyl 10,15-bis(4-cyanophenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate CAS Name: 10,15-bis(4-cyanophenyl)-22,24-dihydroporphyrin-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 10,15-bis(4-cyanophenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate Traditional Name: 10,15-bis(4-cyanophenyl)-22,24-dihydroporphine-2,3-dicarboxylic acid dimethyl ester Formula: C38H24N6O4 MolecularWeight: 628.63496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=NC1=CC3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2)N5)C6=CC=C(C=C6)C#N)C7=CC=C(C=C7)C#N)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C2=NC1=CC3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2)N5)C6=CC=C(C=C6)C#N)C7=CC=C(C=C7)C#N)C(=O)OC

InChI

InChI=1S/C38H24N6O4/c1-47-37(45)35-31-17-25-11-13-27(41-25)33(23-7-3-21(19-39)4-8-23)29-15-16-30(43-29)34(24-9-5-22(20-40)6-10-24)28-14-12-26(42-28)18-32(44-31)36(35)38(46)48-2/h3-18,41-42H,1-2H3