sodium (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate trihydrate

Systemtic Name: sodium (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate trihydrate Openeye Name: sodium (E)-4-hydroxy-4-oxo-but-2-enoate trihydrate CAS Name: sodium (E)-4-hydroxy-4-oxo-2-butenoate trihydrate IUPAC Name: sodium (E)-4-hydroxy-4-oxobut-2-enoate trihydrate Traditional Name: sodium (E)-4-hydroxy-4-keto-but-2-enoate trihydrate Formula: C4H9NaO7 MolecularWeight: 192.09983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C(=C/C(=O)[O-])\C(=O)O.O.O.O.[Na+]

InChI

InChI=1S/C4H4O4.Na.3H2O/c5-3(6)1-2-4(7)8;;;;/h1-2H,(H,5,6)(H,7,8);;3*1H2/q;+1;;;/p-1/b2-1+;;;;