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2-[bis(2-hydroxyethyl)amino]ethanol; 4-icosoxy-4-oxidanylidene-2-sulfo-butanoic acid

2-[bis(2-hydroxyethyl)amino]ethanol; 4-icosoxy-4-oxidanylidene-2-sulfo-butanoic acid

Systemtic Name:2-[bis(2-hydroxyethyl)amino]ethanol; 4-icosoxy-4-oxidanylidene-2-sulfo-butanoic acid
Openeye Name:2-[bis(2-hydroxyethyl)amino]ethanol; 4-icosoxy-4-oxo-2-sulfo-butanoic acid
CAS Name:2-[bis(2-hydroxyethyl)amino]ethanol; 4-eicosoxy-4-oxo-2-sulfobutanoic acid
IUPAC Name:2-[bis(2-hydroxyethyl)amino]ethanol; 4-icosoxy-4-oxo-2-sulfobutanoic acid
Traditional Name:4-arachyloxy-4-keto-2-sulfo-butyric acid; 2-[bis(2-hydroxyethyl)amino]ethanol
Formula: C36H76N2O13S
MolecularWeight: 777.05924
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)O)S(=O)(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)O)S(=O)(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO


InChI

InChI=1S/C24H46O7S.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-23(25)21-22(24(26)27)32(28,29)30;2*8-4-1-7(2-5-9)3-6-10/h22H,2-21H2,1H3,(H,26,27)(H,28,29,30);2*8-10H,1-6H2


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