3,5-dimethyl-6,8-bis(oxidanyl)-4-(trifluoromethyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid

Systemtic Name: 3,5-dimethyl-6,8-bis(oxidanyl)-4-(trifluoromethyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid Openeye Name: 6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)isochromane-7-carboxylic acid CAS Name: 6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid IUPAC Name: 6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid Traditional Name: 6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)isochroman-7-carboxylic acid Formula: C13H13F3O5 MolecularWeight: 306.23453

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(CO1)C(=C(C(=C2C)O)C(=O)O)O)C(F)(F)F

Isomeric SMILES

CC1C(C2=C(CO1)C(=C(C(=C2C)O)C(=O)O)O)C(F)(F)F

InChI

InChI=1S/C13H13F3O5/c1-4-7-6(11(18)8(10(4)17)12(19)20)3-21-5(2)9(7)13(14,15)16/h5,9,17-18H,3H2,1-2H3,(H,19,20)