6-(3,3-dimethylbutanoyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: 6-(3,3-dimethylbutanoyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 6-(3,3-dimethylbutanoyl)-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 6-(3,3-dimethyl-1-oxobutyl)-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-(3,3-dimethylbutanoyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 6-(3,3-dimethylbutanoyl)-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C17H19F3O4 MolecularWeight: 344.32557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)C1=CC2=C(C=C1)OC(C(C2)C(=O)O)C(F)(F)F

Isomeric SMILES

CC(C)(C)CC(=O)C1=CC2=C(C=C1)OC(C(C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C17H19F3O4/c1-16(2,3)8-12(21)9-4-5-13-10(6-9)7-11(15(22)23)14(24-13)17(18,19)20/h4-6,11,14H,7-8H2,1-3H3,(H,22,23)