dimethyl 10,20-bis(trifluoromethyl)-21,22-dihydroporphyrin-5,15-dicarboxylate

Systemtic Name: dimethyl 10,20-bis(trifluoromethyl)-21,22-dihydroporphyrin-5,15-dicarboxylate Openeye Name: dimethyl 10,20-bis(trifluoromethyl)-21,22-dihydroporphyrin-5,15-dicarboxylate CAS Name: 10,20-bis(trifluoromethyl)-21,22-dihydroporphyrin-5,15-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 10,20-bis(trifluoromethyl)-21,22-dihydroporphyrin-5,15-dicarboxylate Traditional Name: 10,20-bis(trifluoromethyl)-21,22-dihydroporphine-5,15-dicarboxylic acid dimethyl ester Formula: C26H16F6N4O4 MolecularWeight: 562.420059

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C(F)(F)F)C=C4)C(=O)OC)C=C3)C(F)(F)F)N2

Isomeric SMILES

COC(=O)C1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C(F)(F)F)C=C4)C(=O)OC)C=C3)C(F)(F)F)N2

InChI

InChI=1S/C26H16F6N4O4/c1-39-23(37)19-11-3-7-15(33-11)21(25(27,28)29)17-9-5-13(35-17)20(24(38)40-2)14-6-10-18(36-14)22(26(30,31)32)16-8-4-12(19)34-16/h3-10,33-34H,1-2H3