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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(trifluoromethylsulfonyloxy)-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-triflyloxy-2H-chromene-3-carboxylic acid methyl ester Formula: C19H13F3O8S MolecularWeight: 458.36193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2OC1C3=CC4=C(C=C3)OCO4)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2OC1C3=CC4=C(C=C3)OCO4)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C19H13F3O8S/c1-26-18(23)15-16(10-6-7-13-14(8-10)28-9-27-13)29-12-5-3-2-4-11(12)17(15)30-31(24,25)19(20,21)22/h2-8,16H,9H2,1H3