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

Systemtic Name: 4-[(E)-2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)-3,3,3-tris(fluoranyl)prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(4,4-dimethylchroman-6-yl)-3,3,3-trifluoro-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-(4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3,3,3-trifluoroprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)-3,3,3-trifluoroprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(4,4-dimethylchroman-6-yl)-3,3,3-trifluoro-prop-1-enyl]benzoic acid Formula: C21H19F3O3 MolecularWeight: 376.36897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3O3/c1-20(2)9-10-27-18-8-7-15(12-17(18)20)16(21(22,23)24)11-13-3-5-14(6-4-13)19(25)26/h3-8,11-12H,9-10H2,1-2H3,(H,25,26)/b16-11+