2-[methyl-[(E)-1-oxidanyloctadec-9-enyl]amino]ethanesulfonic acid

Systemtic Name: 2-[methyl-[(E)-1-oxidanyloctadec-9-enyl]amino]ethanesulfonic acid Openeye Name: 2-[[(E)-1-hydroxyoctadec-9-enyl]-methyl-amino]ethanesulfonic acid CAS Name: 2-[[(E)-1-hydroxyoctadec-9-enyl]-methylamino]ethanesulfonic acid IUPAC Name: 2-[[(E)-1-hydroxyoctadec-9-enyl]-methylamino]ethanesulfonic acid Traditional Name: 2-[[(E)-1-hydroxyoctadec-9-enyl]-methyl-amino]ethanesulfonic acid Formula: C21H43NO4S MolecularWeight: 405.63542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(N(C)CCS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(N(C)CCS(=O)(=O)O)O

InChI

InChI=1S/C21H43NO4S/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)/b11-10+