sodium 2-[methyl-[(E)-1-oxidanyloctadec-9-enyl]amino]ethanesulfonate

Systemtic Name: sodium 2-[methyl-[(E)-1-oxidanyloctadec-9-enyl]amino]ethanesulfonate Openeye Name: sodium 2-[[(E)-1-hydroxyoctadec-9-enyl]-methyl-amino]ethanesulfonate CAS Name: sodium 2-[[(E)-1-hydroxyoctadec-9-enyl]-methylamino]ethanesulfonate IUPAC Name: sodium 2-[[(E)-1-hydroxyoctadec-9-enyl]-methylamino]ethanesulfonate Traditional Name: sodium 2-[[(E)-1-hydroxyoctadec-9-enyl]-methyl-amino]ethanesulfonate Formula: C21H42NNaO4S MolecularWeight: 427.61725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(N(C)CCS(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(N(C)CCS(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C21H43NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h10-11,21,23H,3-9,12-20H2,1-2H3,(H,24,25,26);/q;+1/p-1/b11-10+;