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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(C)CCS(=O)(=O)O.[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(2)20-21-26(23,24)25;/h10-11H,3-9,12-21H2,1-2H3,(H,23,24,25);/q;+1/b11-10+;