methyl 4-[(E)-2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)-3,3,3-tris(fluoranyl)prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)-3,3,3-tris(fluoranyl)prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-(4,4-dimethylchroman-6-yl)-3,3,3-trifluoro-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3,3,3-trifluoroprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)-3,3,3-trifluoroprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(4,4-dimethylchroman-6-yl)-3,3,3-trifluoro-prop-1-enyl]benzoic acid methyl ester Formula: C22H21F3O3 MolecularWeight: 390.39555

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC2=C1C=C(C=C2)C(=CC3=CC=C(C=C3)C(=O)OC)C(F)(F)F)C

Isomeric SMILES

CC1(CCOC2=C1C=C(C=C2)/C(=C\C3=CC=C(C=C3)C(=O)OC)/C(F)(F)F)C

InChI

InChI=1S/C22H21F3O3/c1-21(2)10-11-28-19-9-8-16(13-18(19)21)17(22(23,24)25)12-14-4-6-15(7-5-14)20(26)27-3/h4-9,12-13H,10-11H2,1-3H3/b17-12+