disodium; 4-ethoxy-4-oxidanylidene-3-sulfonato-butanoate; (E)-undec-2-enamide

Systemtic Name: disodium; 4-ethoxy-4-oxidanylidene-3-sulfonato-butanoate; (E)-undec-2-enamide Openeye Name: disodium; 4-ethoxy-4-oxo-3-sulfonato-butanoate; (E)-undec-2-enamide CAS Name: disodium; 4-ethoxy-4-oxo-3-sulfonatobutanoate; (E)-2-undecenamide IUPAC Name: disodium; 4-ethoxy-4-oxo-3-sulfonatobutanoate; (E)-undec-2-enamide Traditional Name: disodium; 4-ethoxy-4-keto-3-sulfonato-butyrate; (E)-undec-2-enamide Formula: C17H29NNa2O8S MolecularWeight: 453.4586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO.C6H10O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-2-13-6(9)4(3-5(7)8)14(10,11)12;;/h9-10H,2-8H2,1H3,(H2,12,13);4H,2-3H2,1H3,(H,7,8)(H,10,11,12);;/q;;2*+1/p-2/b10-9+;;;