5-[1,1,1,3,3,3-hexakis(fluoranyl)-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-bis(oxidanylidene)isoindol-5-yl]propan-2-yl]-2-methyl-isoindole-1,3-dione

Systemtic Name: 5-[1,1,1,3,3,3-hexakis(fluoranyl)-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-bis(oxidanylidene)isoindol-5-yl]propan-2-yl]-2-methyl-isoindole-1,3-dione Openeye Name: 2-methyl-5-[2,2,2-trifluoro-1-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxo-isoindolin-5-yl]-1-(trifluoromethyl)ethyl]isoindoline-1,3-dione CAS Name: 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxo-5-isoindolyl]propan-2-yl]-2-methylisoindole-1,3-dione IUPAC Name: 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione Traditional Name: 5-[1-[1,3-diketo-2-[4-(4-methylphenoxy)phenyl]isoindolin-5-yl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-methyl-isoindoline-1,3-quinone Formula: C33H20F6N2O5 MolecularWeight: 638.512719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(C5=CC6=C(C=C5)C(=O)N(C6=O)C)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(C5=CC6=C(C=C5)C(=O)N(C6=O)C)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C33H20F6N2O5/c1-17-3-9-21(10-4-17)46-22-11-7-20(8-12-22)41-29(44)24-14-6-19(16-26(24)30(41)45)31(32(34,35)36,33(37,38)39)18-5-13-23-25(15-18)28(43)40(2)27(23)42/h3-16H,1-2H3