[(Z)-5-ethyl-4-(2-hydroxyethyl)-1-oxidanyl-icos-3-en-3-yl]azanium; ethyl sulfate

Systemtic Name: [(Z)-5-ethyl-4-(2-hydroxyethyl)-1-oxidanyl-icos-3-en-3-yl]azanium; ethyl sulfate Openeye Name: [(Z)-3-ethyl-1,2-bis(2-hydroxyethyl)octadec-1-enyl]ammonium; ethyl sulfate CAS Name: [(Z)-5-ethyl-1-hydroxy-4-(2-hydroxyethyl)eicos-3-en-3-yl]ammonium; ethyl sulfate IUPAC Name: [(Z)-5-ethyl-1-hydroxy-4-(2-hydroxyethyl)icos-3-en-3-yl]azanium; ethyl sulfate Traditional Name: [(Z)-3-ethyl-1,2-bis(2-hydroxyethyl)octadec-1-enyl]ammonium; ethyl sulfate Formula: C26H55NO6S MolecularWeight: 509.783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC)C(=C(CCO)[NH3+])CCO.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC)/C(=C(/CCO)\[NH3+])/CCO.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C24H49NO2.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22(4-2)23(18-20-26)24(25)19-21-27;1-2-6-7(3,4)5/h22,26-27H,3-21,25H2,1-2H3;2H2,1H3,(H,3,4,5)/b24-23-;