2-(2-hydroxyethylamino)ethanol; [(E)-octadec-9-enoyl] sulfate

Systemtic Name: 2-(2-hydroxyethylamino)ethanol; [(E)-octadec-9-enoyl] sulfate Openeye Name: 2-(2-hydroxyethylamino)ethanol; [(E)-octadec-9-enoyl] sulfate CAS Name: 2-(2-hydroxyethylamino)ethanol; [(E)-1-oxooctadec-9-enyl] sulfate IUPAC Name: 2-(2-hydroxyethylamino)ethanol; [(E)-octadec-9-enoyl] sulfate Traditional Name: 2-(2-hydroxyethylamino)ethanol; [(E)-octadec-9-enoyl] sulfate Formula: C22H44NO7S- MolecularWeight: 466.65226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OS(=O)(=O)[O-].C(CO)NCCO

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OS(=O)(=O)[O-].C(CO)NCCO

InChI

InChI=1S/C18H34O5S.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)23-24(20,21)22;6-3-1-5-2-4-7/h9-10H,2-8,11-17H2,1H3,(H,20,21,22);5-7H,1-4H2/p-1/b10-9+;