trisodium; (E)-N-(2-oxidanylpropyl)octadec-9-enamide; 2-sulfonatobutanedioate

Systemtic Name: trisodium; (E)-N-(2-oxidanylpropyl)octadec-9-enamide; 2-sulfonatobutanedioate Openeye Name: trisodium; (E)-N-(2-hydroxypropyl)octadec-9-enamide; 2-sulfonatobutanedioate CAS Name: trisodium; (E)-N-(2-hydroxypropyl)-9-octadecenamide; 2-sulfonatobutanedioate IUPAC Name: trisodium; (E)-N-(2-hydroxypropyl)octadec-9-enamide; 2-sulfonatobutanedioate Traditional Name: trisodium; (E)-N-(2-hydroxypropyl)octadec-9-enamide; 2-sulfonatosuccinate Formula: C25H44NNa3O9S MolecularWeight: 603.65247

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCC(C)O.C(C(C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCC(C)O.C(C(C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C21H41NO2.C4H6O7S.3Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-19-20(2)23;5-3(6)1-2(4(7)8)12(9,10)11;;;/h10-11,20,23H,3-9,12-19H2,1-2H3,(H,22,24);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;;/q;;3*+1/p-3/b11-10+;;;;