sodium [[3,5-bis(fluoranyl)phenyl]amino]methanesulfonate

Systemtic Name: sodium [[3,5-bis(fluoranyl)phenyl]amino]methanesulfonate Openeye Name: sodium (3,5-difluoroanilino)methanesulfonate CAS Name: sodium (3,5-difluoroanilino)methanesulfonate IUPAC Name: sodium (3,5-difluoroanilino)methanesulfonate Traditional Name: sodium (3,5-difluoroanilino)methanesulfonate Formula: C7H6F2NNaO3S MolecularWeight: 245.179016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1F)F)NCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=C(C=C(C=C1F)F)NCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C7H7F2NO3S.Na/c8-5-1-6(9)3-7(2-5)10-4-14(11,12)13;/h1-3,10H,4H2,(H,11,12,13);/q;+1/p-1