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2-(2-hydroxyethylamino)ethanol; 9-sulfooxyoctadecanoic acid

2-(2-hydroxyethylamino)ethanol; 9-sulfooxyoctadecanoic acid

Systemtic Name:2-(2-hydroxyethylamino)ethanol; 9-sulfooxyoctadecanoic acid
Openeye Name:2-(2-hydroxyethylamino)ethanol; 9-sulfooxyoctadecanoic acid
CAS Name:2-(2-hydroxyethylamino)ethanol; 9-sulfooxyoctadecanoic acid
IUPAC Name:2-(2-hydroxyethylamino)ethanol; 9-sulfooxyoctadecanoic acid
Traditional Name:2-(2-hydroxyethylamino)ethanol; 9-sulfoxystearic acid
Formula: C22H47NO8S
MolecularWeight: 485.67548
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)O)OS(=O)(=O)O.C(CO)NCCO


Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)O)OS(=O)(=O)O.C(CO)NCCO


InChI

InChI=1S/C18H36O6S.C4H11NO2/c1-2-3-4-5-6-8-11-14-17(24-25(21,22)23)15-12-9-7-10-13-16-18(19)20;6-3-1-5-2-4-7/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);5-7H,1-4H2


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