sodium 3,6-bis(fluoranyl)-2-methyl-benzenesulfonate

Systemtic Name: sodium 3,6-bis(fluoranyl)-2-methyl-benzenesulfonate Openeye Name: sodium 3,6-difluoro-2-methyl-benzenesulfonate CAS Name: sodium 3,6-difluoro-2-methylbenzenesulfonate IUPAC Name: sodium 3,6-difluoro-2-methylbenzenesulfonate Traditional Name: sodium 3,6-difluoro-2-methyl-besylate Formula: C7H5F2NaO3S MolecularWeight: 230.164376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1S(=O)(=O)[O-])F)F.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1S(=O)(=O)[O-])F)F.[Na+]

InChI

InChI=1S/C7H6F2O3S.Na/c1-4-5(8)2-3-6(9)7(4)13(10,11)12;/h2-3H,1H3,(H,10,11,12);/q;+1/p-1