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

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-octadecoxy-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-octadecoxy-4-oxo-2-sulfo-butanoic acid CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-octadecoxy-4-oxo-2-sulfobutanoic acid IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-octadecoxy-4-oxo-2-sulfobutanoic acid Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-keto-4-stearyloxy-2-sulfo-butyric acid Formula: C34H72N2O13S MolecularWeight: 749.00608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O7S.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-21(23)19-20(22(24)25)30(26,27)28;2*8-4-1-7(2-5-9)3-6-10/h20H,2-19H2,1H3,(H,24,25)(H,26,27,28);2*8-10H,1-6H2