sodium; 2-(methylamino)ethanesulfonate; 2-(2-oxidanylidenetridecylamino)ethanesulfonate

Systemtic Name: sodium; 2-(methylamino)ethanesulfonate; 2-(2-oxidanylidenetridecylamino)ethanesulfonate Openeye Name: sodium; 2-(methylamino)ethanesulfonate; 2-(2-oxotridecylamino)ethanesulfonate CAS Name: sodium; 2-(methylamino)ethanesulfonate; 2-(2-oxotridecylamino)ethanesulfonate IUPAC Name: sodium; 2-(methylamino)ethanesulfonate; 2-(2-oxotridecylamino)ethanesulfonate Traditional Name: sodium; 2-(2-ketotridecylamino)ethanesulfonate; 2-(methylamino)ethanesulfonate Formula: C18H38N2NaO7S2- MolecularWeight: 481.62329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)CNCCS(=O)(=O)[O-].CNCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCC(=O)CNCCS(=O)(=O)[O-].CNCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H31NO4S.C3H9NO3S.Na/c1-2-3-4-5-6-7-8-9-10-11-15(17)14-16-12-13-21(18,19)20;1-4-2-3-8(5,6)7;/h16H,2-14H2,1H3,(H,18,19,20);4H,2-3H2,1H3,(H,5,6,7);/q;;+1/p-2