disodium; (E)-octadec-9-enamide; 2-sulfobutanedioate

Systemtic Name: disodium; (E)-octadec-9-enamide; 2-sulfobutanedioate Openeye Name: disodium; (E)-octadec-9-enamide; 2-sulfobutanedioate CAS Name: disodium; (E)-9-octadecenamide; 2-sulfobutanedioate IUPAC Name: disodium; (E)-octadec-9-enamide; 2-sulfobutanedioate Traditional Name: disodium; (E)-octadec-9-enamide; 2-sulfosuccinate Formula: C22H39NNa2O8S MolecularWeight: 523.5915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H35NO.C4H6O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-3(6)1-2(4(7)8)12(9,10)11;;/h9-10H,2-8,11-17H2,1H3,(H2,19,20);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;/q;;2*+1/p-2/b10-9+;;;