2,2-bis(fluoranyl)-7-methylsulfanyl-1,3-benzodioxole-4-carboxylic acid

Systemtic Name: 2,2-bis(fluoranyl)-7-methylsulfanyl-1,3-benzodioxole-4-carboxylic acid Openeye Name: 2,2-difluoro-7-methylsulfanyl-1,3-benzodioxole-4-carboxylic acid CAS Name: 2,2-difluoro-7-(methylthio)-1,3-benzodioxole-4-carboxylic acid IUPAC Name: 2,2-difluoro-7-methylsulfanyl-1,3-benzodioxole-4-carboxylic acid Traditional Name: 2,2-difluoro-7-(methylthio)-1,3-benzodioxole-4-carboxylic acid Formula: C9H6F2O4S MolecularWeight: 248.203346

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C(=C(C=C1)C(=O)O)OC(O2)(F)F

Isomeric SMILES

CSC1=C2C(=C(C=C1)C(=O)O)OC(O2)(F)F

InChI

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