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

Systemtic Name: 2,2-bis(fluoranyl)-4-methylsulfanyl-1,3-benzodioxole-5-carboxylic acid Openeye Name: 2,2-difluoro-4-methylsulfanyl-1,3-benzodioxole-5-carboxylic acid CAS Name: 2,2-difluoro-4-(methylthio)-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 2,2-difluoro-4-methylsulfanyl-1,3-benzodioxole-5-carboxylic acid Traditional Name: 2,2-difluoro-4-(methylthio)-piperonylic acid Formula: C9H6F2O4S MolecularWeight: 248.203346

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC2=C1OC(O2)(F)F)C(=O)O

Isomeric SMILES

CSC1=C(C=CC2=C1OC(O2)(F)F)C(=O)O

InChI

InChI=1S/C9H6F2O4S/c1-16-7-4(8(12)13)2-3-5-6(7)15-9(10,11)14-5/h2-3H,1H3,(H,12,13)