6-(phenylcarbonyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: 6-(phenylcarbonyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 6-benzoyl-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 6-benzoyl-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-benzoyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 6-benzoyl-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C18H13F3O4 MolecularWeight: 350.28863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=C1C=C(C=C2)C(=O)C3=CC=CC=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(C(OC2=C1C=C(C=C2)C(=O)C3=CC=CC=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H13F3O4/c19-18(20,21)16-13(17(23)24)9-12-8-11(6-7-14(12)25-16)15(22)10-4-2-1-3-5-10/h1-8,13,16H,9H2,(H,23,24)