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

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-hexadecoxy-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-hexadecoxy-4-oxo-2-sulfo-butanoic acid CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-hexadecoxy-4-oxo-2-sulfobutanoic acid IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-hexadecoxy-4-oxo-2-sulfobutanoic acid Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 4-cetyloxy-4-keto-2-sulfo-butyric acid Formula: C32H68N2O13S MolecularWeight: 720.95292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O7S.2C6H15NO3/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*8-4-1-7(2-5-9)3-6-10/h18H,2-17H2,1H3,(H,22,23)(H,24,25,26);2*8-10H,1-6H2