trisodium; ethene; 4-oxidanyl-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: trisodium; ethene; 4-oxidanyl-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: trisodium; ethylene; 4-hydroxy-4-oxo-2-sulfonato-butanoate CAS Name: trisodium; ethene; 4-hydroxy-4-oxo-2-sulfonatobutanoate IUPAC Name: trisodium; ethene; 4-hydroxy-4-oxo-2-sulfonatobutanoate Traditional Name: trisodium; ethylene; 4-hydroxy-4-keto-2-sulfonato-butyrate Formula: C14H16Na3O21S3-3 MolecularWeight: 685.42855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C4H6O7S.C2H4.3Na/c3*5-3(6)1-2(4(7)8)12(9,10)11;1-2;;;/h3*2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);1-2H2;;;/q;;;;3*+1/p-6