dimethyl 2-[3,6-bis(trifluoromethyl)phenanthren-9-yl]carbonylpropanedioate

Systemtic Name: dimethyl 2-[3,6-bis(trifluoromethyl)phenanthren-9-yl]carbonylpropanedioate Openeye Name: dimethyl 2-[3,6-bis(trifluoromethyl)phenanthrene-9-carbonyl]propanedioate CAS Name: 2-[[3,6-bis(trifluoromethyl)-9-phenanthrenyl]-oxomethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3,6-bis(trifluoromethyl)phenanthrene-9-carbonyl]propanedioate Traditional Name: 2-[3,6-bis(trifluoromethyl)phenanthrene-9-carbonyl]malonic acid dimethyl ester Formula: C22H14F6O5 MolecularWeight: 472.333979

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=O)C1=C2C=CC(=CC2=C3C=C(C=CC3=C1)C(F)(F)F)C(F)(F)F)C(=O)OC

Isomeric SMILES

COC(=O)C(C(=O)C1=C2C=CC(=CC2=C3C=C(C=CC3=C1)C(F)(F)F)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C22H14F6O5/c1-32-19(30)17(20(31)33-2)18(29)16-7-10-3-4-11(21(23,24)25)8-14(10)15-9-12(22(26,27)28)5-6-13(15)16/h3-9,17H,1-2H3