15-methoxycarbonyl-10,20-bis(trifluoromethyl)-21,22-dihydroporphyrin-5-carboxylic acid

Systemtic Name: 15-methoxycarbonyl-10,20-bis(trifluoromethyl)-21,22-dihydroporphyrin-5-carboxylic acid Openeye Name: 15-methoxycarbonyl-10,20-bis(trifluoromethyl)-21,22-dihydroporphyrin-5-carboxylic acid CAS Name: 15-methoxycarbonyl-10,20-bis(trifluoromethyl)-21,22-dihydroporphyrin-5-carboxylic acid IUPAC Name: 15-methoxycarbonyl-10,20-bis(trifluoromethyl)-21,22-dihydroporphyrin-5-carboxylic acid Traditional Name: 15-carbomethoxy-10,20-bis(trifluoromethyl)-21,22-dihydroporphine-5-carboxylic acid Formula: C25H14F6N4O4 MolecularWeight: 548.393479

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C(F)(F)F)C(=O)O)N3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C(F)(F)F)C(=O)O)N3)C(F)(F)F

InChI

InChI=1S/C25H14F6N4O4/c1-39-23(38)19-12-4-8-16(34-12)20(24(26,27)28)14-6-2-10(32-14)18(22(36)37)11-3-7-15(33-11)21(25(29,30)31)17-9-5-13(19)35-17/h2-9,32-33H,1H3,(H,36,37)