6-chloranyl-2-(trifluoromethyl)-8-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-(trifluoromethyl)-8-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-2-(trifluoromethyl)-8-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carboxylic acid CAS Name: 6-chloro-2-(trifluoromethyl)-8-(3,4,5-trimethoxyphenyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-2-(trifluoromethyl)-8-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-2-(trifluoromethyl)-8-(3,4,5-trimethoxyphenyl)-2H-chromene-3-carboxylic acid Formula: C20H16ClF3O6 MolecularWeight: 444.78565

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CC(=CC3=C2OC(C(=C3)C(=O)O)C(F)(F)F)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC(=CC3=C2OC(C(=C3)C(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C20H16ClF3O6/c1-27-14-6-9(7-15(28-2)17(14)29-3)12-8-11(21)4-10-5-13(19(25)26)18(20(22,23)24)30-16(10)12/h4-8,18H,1-3H3,(H,25,26)