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

Systemtic Name: sodium methyl 2-[[(E)-octadec-9-enyl]amino]ethanesulfonate Openeye Name: sodium methyl 2-[[(E)-octadec-9-enyl]amino]ethanesulfonate CAS Name: sodium 2-[[(E)-octadec-9-enyl]amino]ethanesulfonic acid methyl ester IUPAC Name: sodium methyl 2-[[(E)-octadec-9-enyl]amino]ethanesulfonate Traditional Name: sodium 2-[[(E)-octadec-9-enyl]amino]ethanesulfonic acid methyl ester Formula: C21H43NNaO3S+ MolecularWeight: 412.62579

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNCCS(=O)(=O)OC.[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNCCS(=O)(=O)OC.[Na+]

InChI

InChI=1S/C21H43NO3S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-21-26(23,24)25-2;/h10-11,22H,3-9,12-21H2,1-2H3;/q;+1/b11-10+;