4-hexadecoxy-4-oxidanylidene-2-sulfo-butanoic acid; 2-(2-hydroxyethylamino)ethanol

Systemtic Name: 4-hexadecoxy-4-oxidanylidene-2-sulfo-butanoic acid; 2-(2-hydroxyethylamino)ethanol Openeye Name: 4-hexadecoxy-4-oxo-2-sulfo-butanoic acid; 2-(2-hydroxyethylamino)ethanol CAS Name: 4-hexadecoxy-4-oxo-2-sulfobutanoic acid; 2-(2-hydroxyethylamino)ethanol IUPAC Name: 4-hexadecoxy-4-oxo-2-sulfobutanoic acid; 2-(2-hydroxyethylamino)ethanol Traditional Name: 4-cetyloxy-4-keto-2-sulfo-butyric acid; 2-(2-hydroxyethylamino)ethanol Formula: C28H60N2O11S MolecularWeight: 632.8478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CC(C(=O)O)S(=O)(=O)O.C(CO)NCCO.C(CO)NCCO

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CC(C(=O)O)S(=O)(=O)O.C(CO)NCCO.C(CO)NCCO

InChI

InChI=1S/C20H38O7S.2C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-19(21)17-18(20(22)23)28(24,25)26;2*6-3-1-5-2-4-7/h18H,2-17H2,1H3,(H,22,23)(H,24,25,26);2*5-7H,1-4H2