[4-(1,3-benzodioxol-5-yl)-2-methanoyl-3,6-dimethoxy-phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(1,3-benzodioxol-5-yl)-2-methanoyl-3,6-dimethoxy-phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(1,3-benzodioxol-5-yl)-2-formyl-3,6-dimethoxy-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(1,3-benzodioxol-5-yl)-2-formyl-3,6-dimethoxyphenyl] ester IUPAC Name: [4-(1,3-benzodioxol-5-yl)-2-formyl-3,6-dimethoxyphenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(1,3-benzodioxol-5-yl)-2-formyl-3,6-dimethoxy-phenyl] ester Formula: C17H13F3O8S MolecularWeight: 434.34053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC3=C(C=C2)OCO3)OC)C=O)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC3=C(C=C2)OCO3)OC)C=O)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C17H13F3O8S/c1-24-14-6-10(9-3-4-12-13(5-9)27-8-26-12)15(25-2)11(7-21)16(14)28-29(22,23)17(18,19)20/h3-7H,8H2,1-2H3