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sodium (E)-1-(methylamino)-3-oxidanylidene-icos-11-ene-2-sulfonic acid

sodium (E)-1-(methylamino)-3-oxidanylidene-icos-11-ene-2-sulfonic acid

Systemtic Name:sodium (E)-1-(methylamino)-3-oxidanylidene-icos-11-ene-2-sulfonic acid
Openeye Name:sodium (E)-1-(methylamino)-3-oxo-icos-11-ene-2-sulfonic acid
CAS Name:sodium (E)-1-(methylamino)-3-oxo-11-eicosene-2-sulfonic acid
IUPAC Name:sodium (E)-1-(methylamino)-3-oxoicos-11-ene-2-sulfonic acid
Traditional Name:sodium (E)-3-keto-1-(methylamino)eicos-11-ene-2-sulfonic acid
Formula: C21H41NNaO4S+
MolecularWeight: 426.60931
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H41NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)21(19-22-2)27(24,25)26;/h10-11,21-22H,3-9,12-19H2,1-2H3,(H,24,25,26);/q;+1/b11-10+;


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