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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-6-butoxy-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-6-butoxy-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-6-butoxy-4-(trifluoromethylsulfonyloxy)-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-6-butoxy-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-6-butoxy-4-triflyloxy-2H-chromene-3-carboxylic acid methyl ester Formula: C23H21F3O9S MolecularWeight: 530.46765

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC(C(=C2OS(=O)(=O)C(F)(F)F)C(=O)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCOC1=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/C23H21F3O9S/c1-3-4-9-31-14-6-8-16-15(11-14)21(35-36(28,29)23(24,25)26)19(22(27)30-2)20(34-16)13-5-7-17-18(10-13)33-12-32-17/h5-8,10-11,20H,3-4,9,12H2,1-2H3