4-(3,4-dimethoxyphenyl)-3,3-bis(fluoranyl)-2-oxidanylidene-butane-1-sulfonic acid

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3,3-bis(fluoranyl)-2-oxidanylidene-butane-1-sulfonic acid Openeye Name: 4-(3,4-dimethoxyphenyl)-3,3-difluoro-2-oxo-butane-1-sulfonic acid CAS Name: 4-(3,4-dimethoxyphenyl)-3,3-difluoro-2-oxo-1-butanesulfonic acid IUPAC Name: 4-(3,4-dimethoxyphenyl)-3,3-difluoro-2-oxobutane-1-sulfonic acid Traditional Name: 4-(3,4-dimethoxyphenyl)-3,3-difluoro-2-keto-butane-1-sulfonic acid Formula: C12H14F2O6S MolecularWeight: 324.297766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=O)CS(=O)(=O)O)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C(=O)CS(=O)(=O)O)(F)F)OC

InChI

InChI=1S/C12H14F2O6S/c1-19-9-4-3-8(5-10(9)20-2)6-12(13,14)11(15)7-21(16,17)18/h3-5H,6-7H2,1-2H3,(H,16,17,18)