7-(4-butylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 7-(4-butylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 7-(4-butylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 7-(4-butylphenoxy)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 7-(4-butylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 7-(4-butylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C21H19F3O4 MolecularWeight: 392.36837

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC2=CC3=C(C=C2)C=C(C(O3)C(F)(F)F)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC2=CC3=C(C=C2)C=C(C(O3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C21H19F3O4/c1-2-3-4-13-5-8-15(9-6-13)27-16-10-7-14-11-17(20(25)26)19(21(22,23)24)28-18(14)12-16/h5-12,19H,2-4H2,1H3,(H,25,26)