4-[2-[3,4-bis(ethoxycarbonyl)phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]phthalic acid

Systemtic Name: 4-[2-[3,4-bis(ethoxycarbonyl)phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]phthalic acid Openeye Name: 4-[1-[3,4-bis(ethoxycarbonyl)phenyl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phthalic acid CAS Name: 4-[2-[3,4-bis(ethoxycarbonyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phthalic acid IUPAC Name: 4-[2-[3,4-bis(ethoxycarbonyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phthalic acid Traditional Name: 4-[1-(3,4-dicarbethoxyphenyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phthalic acid Formula: C23H18F6O8 MolecularWeight: 536.374639

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C(C2=CC(=C(C=C2)C(=O)O)C(=O)O)(C(F)(F)F)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C(C2=CC(=C(C=C2)C(=O)O)C(=O)O)(C(F)(F)F)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C23H18F6O8/c1-3-36-19(34)14-8-6-12(10-16(14)20(35)37-4-2)21(22(24,25)26,23(27,28)29)11-5-7-13(17(30)31)15(9-11)18(32)33/h5-10H,3-4H2,1-2H3,(H,30,31)(H,32,33)