8-(4-butylphenyl)-6-chloranyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 8-(4-butylphenyl)-6-chloranyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 8-(4-butylphenyl)-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 8-(4-butylphenyl)-6-chloro-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 8-(4-butylphenyl)-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 8-(4-butylphenyl)-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C21H18ClF3O3 MolecularWeight: 410.81403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC(=CC3=C2OC(C(=C3)C(=O)O)C(F)(F)F)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC(=CC3=C2OC(C(=C3)C(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C21H18ClF3O3/c1-2-3-4-12-5-7-13(8-6-12)16-11-15(22)9-14-10-17(20(26)27)19(21(23,24)25)28-18(14)16/h5-11,19H,2-4H2,1H3,(H,26,27)