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

Systemtic Name: sodium; 2-(dodecanoylamino)ethanesulfonate; 2-(methylamino)ethanesulfonate Openeye Name: sodium; 2-(dodecanoylamino)ethanesulfonate; 2-(methylamino)ethanesulfonate CAS Name: sodium; 2-(methylamino)ethanesulfonate; 2-(1-oxododecylamino)ethanesulfonate IUPAC Name: sodium; 2-(dodecanoylamino)ethanesulfonate; 2-(methylamino)ethanesulfonate Traditional Name: sodium; 2-(lauroylamino)ethanesulfonate; 2-(methylamino)ethanesulfonate Formula: C17H36N2NaO7S2- MolecularWeight: 467.59671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H29NO4S.C3H9NO3S.Na/c1-2-3-4-5-6-7-8-9-10-11-14(16)15-12-13-20(17,18)19;1-4-2-3-8(5,6)7;/h2-13H2,1H3,(H,15,16)(H,17,18,19);4H,2-3H2,1H3,(H,5,6,7);/q;;+1/p-2