6-chloranyl-8-(3,3-dimethylbut-1-ynyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-8-(3,3-dimethylbut-1-ynyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-8-(3,3-dimethylbut-1-ynyl)-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 6-chloro-8-(3,3-dimethylbut-1-ynyl)-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-8-(3,3-dimethylbut-1-ynyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-8-(3,3-dimethylbut-1-ynyl)-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C17H16ClF3O3 MolecularWeight: 360.75535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=CC(=CC2=C1OC(C(C2)C(=O)O)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)C#CC1=CC(=CC2=C1OC(C(C2)C(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C17H16ClF3O3/c1-16(2,3)5-4-9-6-11(18)7-10-8-12(15(22)23)14(17(19,20)21)24-13(9)10/h6-7,12,14H,8H2,1-3H3,(H,22,23)