sodium 4-ethoxycarbonyl-3-methyl-1,2-oxazol-5-olate hydrate

Systemtic Name: sodium 4-ethoxycarbonyl-3-methyl-1,2-oxazol-5-olate hydrate Openeye Name: sodium 4-ethoxycarbonyl-3-methyl-isoxazol-5-olate hydrate CAS Name: sodium 4-ethoxycarbonyl-3-methyl-5-isoxazololate hydrate IUPAC Name: sodium 4-ethoxycarbonyl-3-methyl-1,2-oxazol-5-olate hydrate Traditional Name: sodium 4-carbethoxy-3-methyl-isoxazol-5-olate hydrate Formula: C7H10NNaO5 MolecularWeight: 211.14777

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(ON=C1C)[O-].O.[Na+]

Isomeric SMILES

CCOC(=O)C1=C(ON=C1C)[O-].O.[Na+]

InChI

InChI=1S/C7H9NO4.Na.H2O/c1-3-11-6(9)5-4(2)8-12-7(5)10;;/h10H,3H2,1-2H3;;1H2/q;+1;/p-1