Chemical Compound

Disufenton sodium

CAS Registry Number168021-79-2

Primary record

CAS: 168021-79-2
PubChem CID: 6440181
SMILES: CC(C)(C)/[N+](=C/C1=C(C=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])/[O-].[Na+].[Na+]
Molecular Formula: C11H13NNa2O7S2
Molecular Weight: 381.339
Exact Mass: 380.9929
InChI: InChI=1S/C11H15NO7S2.2Na/c1-11(2,3)12(13)7-8-4-5-9(20(14,15)16)6-10(8)21(17,18)19;;/h4-7H,1-3H3,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2/b12-7-;;
InChIKey: XLZOVRYBVCMCGL-BPNVQINPSA-L
LogP: -5.7695
TPSA: 140.47

Names and synonyms