trisodium; (E)-N-propan-2-yloctadec-9-enamide; 2-sulfonatobutanedioate

Systemtic Name: trisodium; (E)-N-propan-2-yloctadec-9-enamide; 2-sulfonatobutanedioate Openeye Name: trisodium; (E)-N-isopropyloctadec-9-enamide; 2-sulfonatobutanedioate CAS Name: trisodium; (E)-N-propan-2-yl-9-octadecenamide; 2-sulfonatobutanedioate IUPAC Name: trisodium; (E)-N-propan-2-yloctadec-9-enamide; 2-sulfonatobutanedioate Traditional Name: trisodium; (E)-N-isopropyloctadec-9-enamide; 2-sulfonatosuccinate Formula: C25H44NNa3O8S MolecularWeight: 587.65307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H41NO.C4H6O7S.3Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20(2)3;5-3(6)1-2(4(7)8)12(9,10)11;;;/h11-12,20H,4-10,13-19H2,1-3H3,(H,22,23);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;;/q;;3*+1/p-3/b12-11+;;;;