2-[bis(2-hydroxyethyl)amino]ethanol; [(1E,3E)-hexadeca-1,3-dienyl] hydrogen sulfate

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; [(1E,3E)-hexadeca-1,3-dienyl] hydrogen sulfate Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; [(1E,3E)-hexadeca-1,3-dienyl] hydrogen sulfate CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; sulfuric acid [(1E,3E)-hexadeca-1,3-dienyl] ester IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; [(1E,3E)-hexadeca-1,3-dienyl] hydrogen sulfate Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; sulfuric acid [(1E,3E)-hexadeca-1,3-dienyl] ester Formula: C22H45NO7S MolecularWeight: 467.6602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC=COS(=O)(=O)O.C(CO)N(CCO)CCO

Isomeric SMILES

CCCCCCCCCCCC/C=C/C=C/OS(=O)(=O)O.C(CO)N(CCO)CCO

InChI

InChI=1S/C16H30O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;8-4-1-7(2-5-9)3-6-10/h13-16H,2-12H2,1H3,(H,17,18,19);8-10H,1-6H2/b14-13+,16-15+;