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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=C(CCO)[NH2+]CC)CCO.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC/C(=C(\CCO)/[NH2+]CC)/CCO.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C24H49NO2.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-26)24(20-22-27)25-4-2;1-2-6-7(3,4)5/h25-27H,3-22H2,1-2H3;2H2,1H3,(H,3,4,5)/b24-23-;