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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-6-(1-oxidanylpropan-2-yloxy)-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-6-(2-hydroxy-1-methyl-ethoxy)-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-6-(1-hydroxypropan-2-yloxy)-4-(trifluoromethylsulfonyloxy)-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-6-(1-hydroxypropan-2-yloxy)-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-6-(2-hydroxy-1-methyl-ethoxy)-4-triflyloxy-2H-chromene-3-carboxylic acid methyl ester Formula: C22H19F3O10S MolecularWeight: 532.44047

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)OC1=CC2=C(C=C1)OC(C(=C2OS(=O)(=O)C(F)(F)F)C(=O)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(CO)OC1=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/C22H19F3O10S/c1-11(9-26)33-13-4-6-15-14(8-13)20(35-36(28,29)22(23,24)25)18(21(27)30-2)19(34-15)12-3-5-16-17(7-12)32-10-31-16/h3-8,11,19,26H,9-10H2,1-2H3