methyl 2-(1,3-benzodioxol-5-yl)-6-ethoxy-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-6-ethoxy-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-6-ethoxy-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-6-ethoxy-4-(trifluoromethylsulfonyloxy)-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-6-ethoxy-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-6-ethoxy-4-triflyloxy-2H-chromene-3-carboxylic acid methyl ester Formula: C21H17F3O9S MolecularWeight: 502.41449

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(C(=C2OS(=O)(=O)C(F)(F)F)C(=O)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(C(=C2OS(=O)(=O)C(F)(F)F)C(=O)OC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17F3O9S/c1-3-29-12-5-7-14-13(9-12)19(33-34(26,27)21(22,23)24)17(20(25)28-2)18(32-14)11-4-6-15-16(8-11)31-10-30-15/h4-9,18H,3,10H2,1-2H3