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2-(2-hydroxyethylamino)ethanol; propyl 10-sulfooxyoctadecanoate

2-(2-hydroxyethylamino)ethanol; propyl 10-sulfooxyoctadecanoate

Systemtic Name:2-(2-hydroxyethylamino)ethanol; propyl 10-sulfooxyoctadecanoate
Openeye Name:2-(2-hydroxyethylamino)ethanol; propyl 10-sulfooxyoctadecanoate
CAS Name:2-(2-hydroxyethylamino)ethanol; 10-sulfooxyoctadecanoic acid propyl ester
IUPAC Name:2-(2-hydroxyethylamino)ethanol; propyl 10-sulfooxyoctadecanoate
Traditional Name:2-(2-hydroxyethylamino)ethanol; 10-sulfoxystearic acid propyl ester
Formula: C25H53NO8S
MolecularWeight: 527.75522
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCCC(=O)OCCC)OS(=O)(=O)O.C(CO)NCCO


Isomeric SMILES

CCCCCCCCC(CCCCCCCCC(=O)OCCC)OS(=O)(=O)O.C(CO)NCCO


InChI

InChI=1S/C21H42O6S.C4H11NO2/c1-3-5-6-7-10-13-16-20(27-28(23,24)25)17-14-11-8-9-12-15-18-21(22)26-19-4-2;6-3-1-5-2-4-7/h20H,3-19H2,1-2H3,(H,23,24,25);5-7H,1-4H2


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