methyl 4-[bis[5-fluoranyl-2,4-bis(oxidanyl)phenyl]methyl]-3-methyl-benzoate

Systemtic Name: methyl 4-[bis[5-fluoranyl-2,4-bis(oxidanyl)phenyl]methyl]-3-methyl-benzoate Openeye Name: methyl 4-[bis(5-fluoro-2,4-dihydroxy-phenyl)methyl]-3-methyl-benzoate CAS Name: 4-[bis(5-fluoro-2,4-dihydroxyphenyl)methyl]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[bis(5-fluoro-2,4-dihydroxyphenyl)methyl]-3-methylbenzoate Traditional Name: 4-[bis(5-fluoro-2,4-dihydroxy-phenyl)methyl]-3-methyl-benzoic acid methyl ester Formula: C22H18F2O6 MolecularWeight: 416.371526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)C(C2=CC(=C(C=C2O)O)F)C3=CC(=C(C=C3O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)C(C2=CC(=C(C=C2O)O)F)C3=CC(=C(C=C3O)O)F

InChI

InChI=1S/C22H18F2O6/c1-10-5-11(22(29)30-2)3-4-12(10)21(13-6-15(23)19(27)8-17(13)25)14-7-16(24)20(28)9-18(14)26/h3-9,21,25-28H,1-2H3