methyl 2-[3,4-bis(oxidanyl)phenyl]-6-propan-2-yloxy-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate

Systemtic Name: methyl 2-[3,4-bis(oxidanyl)phenyl]-6-propan-2-yloxy-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Openeye Name: methyl 2-(3,4-dihydroxyphenyl)-6-isopropoxy-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate CAS Name: 2-(3,4-dihydroxyphenyl)-6-propan-2-yloxy-4-(trifluoromethylsulfonyloxy)-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydroxyphenyl)-6-propan-2-yloxy-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Traditional Name: 2-(3,4-dihydroxyphenyl)-6-isopropoxy-4-triflyloxy-2H-chromene-3-carboxylic acid methyl ester Formula: C21H19F3O9S MolecularWeight: 504.43037

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)OC(C(=C2OS(=O)(=O)C(F)(F)F)C(=O)OC)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)OC(C(=C2OS(=O)(=O)C(F)(F)F)C(=O)OC)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C21H19F3O9S/c1-10(2)31-12-5-7-16-13(9-12)19(33-34(28,29)21(22,23)24)17(20(27)30-3)18(32-16)11-4-6-14(25)15(26)8-11/h4-10,18,25-26H,1-3H3