2-[3-(4-chloranyl-3-methyl-phenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxyethanoic acid

Systemtic Name: 2-[3-(4-chloranyl-3-methyl-phenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxyethanoic acid Openeye Name: 2-[3-(4-chloro-3-methyl-phenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetic acid CAS Name: 2-[[3-(4-chloro-3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl]oxy]acetic acid IUPAC Name: 2-[3-(4-chloro-3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetic acid Traditional Name: 2-[3-(4-chloro-3-methyl-phenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl]oxyacetic acid Formula: C19H12ClF3O6 MolecularWeight: 428.74319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCC(=O)O)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCC(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C19H12ClF3O6/c1-9-6-11(3-5-13(9)20)28-17-16(26)12-4-2-10(27-8-15(24)25)7-14(12)29-18(17)19(21,22)23/h2-7H,8H2,1H3,(H,24,25)