2-[3,5-bis(trifluoromethyl)phenyl]-5-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-benzoic acid

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-benzoic acid Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-(3-ethoxy-3-oxo-propyl)-4-methyl-benzoic acid CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-(3-ethoxy-3-oxopropyl)-4-methylbenzoic acid IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-(3-ethoxy-3-oxopropyl)-4-methylbenzoic acid Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-(3-ethoxy-3-keto-propyl)-4-methyl-benzoic acid Formula: C21H18F6O4 MolecularWeight: 448.355639

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=C(C(=C1)C(=O)O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)CCC1=C(C=C(C(=C1)C(=O)O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C21H18F6O4/c1-3-31-18(28)5-4-12-9-17(19(29)30)16(6-11(12)2)13-7-14(20(22,23)24)10-15(8-13)21(25,26)27/h6-10H,3-5H2,1-2H3,(H,29,30)