6-chloranyl-7-(4-ethylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(4-ethylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-(4-ethylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-chloro-7-(4-ethylphenoxy)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(4-ethylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-(4-ethylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C19H14ClF3O4 MolecularWeight: 398.76027

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C19H14ClF3O4/c1-2-10-3-5-12(6-4-10)26-16-9-15-11(8-14(16)20)7-13(18(24)25)17(27-15)19(21,22)23/h3-9,17H,2H2,1H3,(H,24,25)