2,2-bis(fluoranyl)-4-(methylsulfonylmethyl)-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 2,2-bis(fluoranyl)-4-(methylsulfonylmethyl)-1,3-benzodioxole-5-carboxylic acid Openeye Name: 2,2-difluoro-4-(methylsulfonylmethyl)-1,3-benzodioxole-5-carboxylic acid CAS Name: 2,2-difluoro-4-(methylsulfonylmethyl)-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 2,2-difluoro-4-(methylsulfonylmethyl)-1,3-benzodioxole-5-carboxylic acid Traditional Name: 2,2-difluoro-4-(mesylmethyl)-piperonylic acid Formula: C10H8F2O6S MolecularWeight: 294.228726

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=C(C=CC2=C1OC(O2)(F)F)C(=O)O

Isomeric SMILES

CS(=O)(=O)CC1=C(C=CC2=C1OC(O2)(F)F)C(=O)O

InChI

InChI=1S/C10H8F2O6S/c1-19(15,16)4-6-5(9(13)14)2-3-7-8(6)18-10(11,12)17-7/h2-3H,4H2,1H3,(H,13,14)