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sodium (E)-1-(methylamino)icos-11-ene-2-sulfonate

sodium (E)-1-(methylamino)icos-11-ene-2-sulfonate

Systemtic Name:sodium (E)-1-(methylamino)icos-11-ene-2-sulfonate
Openeye Name:sodium (E)-1-(methylamino)icos-11-ene-2-sulfonate
CAS Name:sodium (E)-1-(methylamino)-11-eicosene-2-sulfonate
IUPAC Name:sodium (E)-1-(methylamino)icos-11-ene-2-sulfonate
Traditional Name:sodium (E)-1-(methylamino)eicos-11-ene-2-sulfonate
Formula: C21H42NNaO3S
MolecularWeight: 411.61785
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CNC)S(=O)(=O)[O-].[Na+]


Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(CNC)S(=O)(=O)[O-].[Na+]


InChI

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


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