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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-5-propoxy-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-5-propoxy-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-5-propoxy-4-(trifluoromethylsulfonyloxy)-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-5-propoxy-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-propoxy-4-triflyloxy-2H-chromene-3-carboxylic acid methyl ester Formula: C22H19F3O9S MolecularWeight: 516.44107

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC2=C1C(=C(C(O2)C3=CC4=C(C=C3)OCO4)C(=O)OC)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCOC1=CC=CC2=C1C(=C(C(O2)C3=CC4=C(C=C3)OCO4)C(=O)OC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C22H19F3O9S/c1-3-9-30-14-5-4-6-15-17(14)20(34-35(27,28)22(23,24)25)18(21(26)29-2)19(33-15)12-7-8-13-16(10-12)32-11-31-13/h4-8,10,19H,3,9,11H2,1-2H3