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

Systemtic Name: 7-(3-tert-butylphenoxy)-6-chloranyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 7-(3-tert-butylphenoxy)-6-chloro-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 7-(3-tert-butylphenoxy)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 7-(3-tert-butylphenoxy)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 7-(3-tert-butylphenoxy)-6-chloro-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C21H20ClF3O4 MolecularWeight: 428.82931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClF3O4/c1-20(2,3)12-5-4-6-13(9-12)28-17-10-16-11(8-15(17)22)7-14(19(26)27)18(29-16)21(23,24)25/h4-6,8-10,14,18H,7H2,1-3H3,(H,26,27)