[(Z)-3-ethyl-2,2-bis(2-hydroxyethyl)octadec-9-enoyl]azanium; ethyl sulfate

Systemtic Name: [(Z)-3-ethyl-2,2-bis(2-hydroxyethyl)octadec-9-enoyl]azanium; ethyl sulfate Openeye Name: [(Z)-3-ethyl-2,2-bis(2-hydroxyethyl)octadec-9-enoyl]ammonium; ethyl sulfate CAS Name: [(Z)-3-ethyl-2,2-bis(2-hydroxyethyl)-1-oxooctadec-9-enyl]ammonium; ethyl sulfate IUPAC Name: [(Z)-3-ethyl-2,2-bis(2-hydroxyethyl)octadec-9-enoyl]azanium; ethyl sulfate Traditional Name: [(Z)-3-ethyl-2,2-bis(2-hydroxyethyl)octadec-9-enoyl]ammonium; ethyl sulfate Formula: C26H53NO7S MolecularWeight: 523.76652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H47NO3.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22(4-2)24(18-20-26,19-21-27)23(25)28;1-2-6-7(3,4)5/h11-12,22,26-27H,3-10,13-21H2,1-2H3,(H2,25,28);2H2,1H3,(H,3,4,5)/b12-11-;