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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-6-phenylmethoxy-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-6-benzyloxy-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-6-phenylmethoxy-4-(trifluoromethylsulfonyloxy)-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-6-phenylmethoxy-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-6-benzoxy-4-triflyloxy-2H-chromene-3-carboxylic acid methyl ester Formula: C26H19F3O9S MolecularWeight: 564.48387

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC(=C2)OCC3=CC=CC=C3)OC1C4=CC5=C(C=C4)OCO5)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)OCC3=CC=CC=C3)OC1C4=CC5=C(C=C4)OCO5)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C26H19F3O9S/c1-33-25(30)22-23(16-7-9-20-21(11-16)36-14-35-20)37-19-10-8-17(34-13-15-5-3-2-4-6-15)12-18(19)24(22)38-39(31,32)26(27,28)29/h2-12,23H,13-14H2,1H3