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

Systemtic Name: dipropyl 10,20-bis(trifluoromethyl)-21,22-dihydroporphyrin-5,15-dicarboxylate Openeye Name: dipropyl 10,20-bis(trifluoromethyl)-21,22-dihydroporphyrin-5,15-dicarboxylate CAS Name: 10,20-bis(trifluoromethyl)-21,22-dihydroporphyrin-5,15-dicarboxylic acid dipropyl ester IUPAC Name: dipropyl 10,20-bis(trifluoromethyl)-21,22-dihydroporphyrin-5,15-dicarboxylate Traditional Name: 10,20-bis(trifluoromethyl)-21,22-dihydroporphine-5,15-dicarboxylic acid dipropyl ester Formula: C30H24F6N4O4 MolecularWeight: 618.526379

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C(F)(F)F)C=C4)C(=O)OCCC)C=C3)C(F)(F)F)N2

Isomeric SMILES

CCCOC(=O)C1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C(F)(F)F)C=C4)C(=O)OCCC)C=C3)C(F)(F)F)N2

InChI

InChI=1S/C30H24F6N4O4/c1-3-13-43-27(41)23-15-5-9-19(37-15)25(29(31,32)33)21-11-7-17(39-21)24(28(42)44-14-4-2)18-8-12-22(40-18)26(30(34,35)36)20-10-6-16(23)38-20/h5-12,37-38H,3-4,13-14H2,1-2H3