11-[2,4-bis(trifluoromethyl)phenyl]-3-methoxycarbonyl-3-oxidanyl-5-oxidanylidene-undecanoic acid

Systemtic Name: 11-[2,4-bis(trifluoromethyl)phenyl]-3-methoxycarbonyl-3-oxidanyl-5-oxidanylidene-undecanoic acid Openeye Name: 11-[2,4-bis(trifluoromethyl)phenyl]-3-hydroxy-3-methoxycarbonyl-5-oxo-undecanoic acid CAS Name: 11-[2,4-bis(trifluoromethyl)phenyl]-3-hydroxy-3-methoxycarbonyl-5-oxoundecanoic acid IUPAC Name: 11-[2,4-bis(trifluoromethyl)phenyl]-3-hydroxy-3-methoxycarbonyl-5-oxoundecanoic acid Traditional Name: 11-[2,4-bis(trifluoromethyl)phenyl]-3-carbomethoxy-3-hydroxy-5-keto-undecanoic acid Formula: C21H24F6O6 MolecularWeight: 486.402079

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)CCCCCCC1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F)(CC(=O)O)O

Isomeric SMILES

COC(=O)C(CC(=O)CCCCCCC1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F)(CC(=O)O)O

InChI

InChI=1S/C21H24F6O6/c1-33-18(31)19(32,12-17(29)30)11-15(28)7-5-3-2-4-6-13-8-9-14(20(22,23)24)10-16(13)21(25,26)27/h8-10,32H,2-7,11-12H2,1H3,(H,29,30)