6-chloranyl-7-(2,6-dimethylphenoxy)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(2,6-dimethylphenoxy)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-(2,6-dimethylphenoxy)-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 6-chloro-7-(2,6-dimethylphenoxy)-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(2,6-dimethylphenoxy)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-(2,6-dimethylphenoxy)-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C19H16ClF3O4 MolecularWeight: 400.77615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=C(C=C3CC(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=C(C=C3CC(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C19H16ClF3O4/c1-9-4-3-5-10(2)16(9)26-15-8-14-11(7-13(15)20)6-12(18(24)25)17(27-14)19(21,22)23/h3-5,7-8,12,17H,6H2,1-2H3,(H,24,25)