sodium 2-[[(E)-nonadec-10-en-2-yl]amino]ethanesulfonate

Systemtic Name: sodium 2-[[(E)-nonadec-10-en-2-yl]amino]ethanesulfonate Openeye Name: sodium 2-[[(E)-1-methyloctadec-9-enyl]amino]ethanesulfonate CAS Name: sodium 2-[[(E)-nonadec-10-en-2-yl]amino]ethanesulfonate IUPAC Name: sodium 2-[[(E)-nonadec-10-en-2-yl]amino]ethanesulfonate Traditional Name: sodium 2-[[(E)-1-methyloctadec-9-enyl]amino]ethanesulfonate Formula: C21H42NNaO3S MolecularWeight: 411.61785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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