6-chloranyl-7-(2-methyl-1-oxidanyl-propan-2-yl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(2-methyl-1-oxidanyl-propan-2-yl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-(2-hydroxy-1,1-dimethyl-ethyl)-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 6-chloro-7-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-(2-hydroxy-1,1-dimethyl-ethyl)-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C15H16ClF3O4 MolecularWeight: 352.73335

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C1=C(C=C2CC(C(OC2=C1)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

CC(C)(CO)C1=C(C=C2CC(C(OC2=C1)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C15H16ClF3O4/c1-14(2,6-20)9-5-11-7(4-10(9)16)3-8(13(21)22)12(23-11)15(17,18)19/h4-5,8,12,20H,3,6H2,1-2H3,(H,21,22)