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

Systemtic Name: 7-(3-tert-butyl-4-chloranyl-phenoxy)-6-chloranyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 7-(3-tert-butyl-4-chloro-phenoxy)-6-chloro-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 7-(3-tert-butyl-4-chlorophenoxy)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 7-(3-tert-butyl-4-chlorophenoxy)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 7-(3-tert-butyl-4-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(=C1)OC2=C(C=C3CC(C(OC3=C2)C(F)(F)F)C(=O)O)Cl)Cl

Isomeric SMILES

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

InChI

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