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

Systemtic Name: 7-(2-tert-butyl-3-chloranyl-phenoxy)-6-chloranyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 7-(2-tert-butyl-3-chloro-phenoxy)-6-chloro-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 7-(2-tert-butyl-3-chlorophenoxy)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 7-(2-tert-butyl-3-chlorophenoxy)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 7-(2-tert-butyl-3-chloro-phenoxy)-6-chloro-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C21H19Cl2F3O4 MolecularWeight: 463.27437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC=C1Cl)OC2=C(C=C3CC(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)C1=C(C=CC=C1Cl)OC2=C(C=C3CC(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C21H19Cl2F3O4/c1-20(2,3)17-12(22)5-4-6-14(17)29-16-9-15-10(8-13(16)23)7-11(19(27)28)18(30-15)21(24,25)26/h4-6,8-9,11,18H,7H2,1-3H3,(H,27,28)