2-(diethylamino)ethanol; diethyl(2-hydroxyethyl)azanium; 2-[(E)-dodec-1-enyl]butanedioate

Systemtic Name: 2-(diethylamino)ethanol; diethyl(2-hydroxyethyl)azanium; 2-[(E)-dodec-1-enyl]butanedioate Openeye Name: 2-(diethylamino)ethanol; diethyl(2-hydroxyethyl)ammonium; 2-[(E)-dodec-1-enyl]butanedioate CAS Name: 2-(diethylamino)ethanol; diethyl(2-hydroxyethyl)ammonium; 2-[(E)-dodec-1-enyl]butanedioate IUPAC Name: 2-(diethylamino)ethanol; diethyl(2-hydroxyethyl)azanium; 2-[(E)-dodec-1-enyl]butanedioate Traditional Name: 2-(diethylamino)ethanol; diethyl(2-hydroxyethyl)ammonium; 2-[(E)-dodec-1-enyl]succinate Formula: C28H57N2O6- MolecularWeight: 517.76198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CC(CC(=O)[O-])C(=O)[O-].CC[NH+](CC)CCO.CCN(CC)CCO

Isomeric SMILES

CCCCCCCCCC/C=C/C(CC(=O)[O-])C(=O)[O-].CC[NH+](CC)CCO.CCN(CC)CCO

InChI

InChI=1S/C16H28O4.2C6H15NO/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;2*1-3-7(4-2)5-6-8/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,19,20);2*8H,3-6H2,1-2H3/p-1/b12-11+;;