6-chloranyl-4-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-benzodioxine-2-carboxylic acid

Systemtic Name: 6-chloranyl-4-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-benzodioxine-2-carboxylic acid Openeye Name: 6-chloro-4-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-benzodioxine-2-carboxylic acid CAS Name: 6-chloro-4-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-benzodioxin-2-carboxylic acid IUPAC Name: 6-chloro-4-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-benzodioxine-2-carboxylic acid Traditional Name: 6-chloro-4-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-benzodioxin-2-carboxylic acid Formula: C17H12ClF3O4 MolecularWeight: 372.72299

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)Cl)OC(O1)C(=O)O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1(C2=C(C=CC(=C2)Cl)OC(O1)C(=O)O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H12ClF3O4/c1-16(9-3-2-4-10(7-9)17(19,20)21)12-8-11(18)5-6-13(12)24-15(25-16)14(22)23/h2-8,15H,1H3,(H,22,23)