6-chloranyl-7-[(2,4-dimethylphenyl)methyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-[(2,4-dimethylphenyl)methyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-[(2,4-dimethylphenyl)methyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-chloro-7-[(2,4-dimethylphenyl)methyl]-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-[(2,4-dimethylphenyl)methyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-(2,4-dimethylbenzyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C20H16ClF3O3 MolecularWeight: 396.78745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl)C

InChI

InChI=1S/C20H16ClF3O3/c1-10-3-4-12(11(2)5-10)6-13-9-17-14(8-16(13)21)7-15(19(25)26)18(27-17)20(22,23)24/h3-5,7-9,18H,6H2,1-2H3,(H,25,26)