sodium 2-oxidanylidene-3-phenyl-propanoate hydrate

Systemtic Name: sodium 2-oxidanylidene-3-phenyl-propanoate hydrate Openeye Name: sodium 2-oxo-3-phenyl-propanoate hydrate CAS Name: sodium 2-oxo-3-phenylpropanoate hydrate IUPAC Name: sodium 2-oxo-3-phenylpropanoate hydrate Traditional Name: sodium 2-keto-3-phenyl-propionate hydrate Formula: C9H9NaO4 MolecularWeight: 204.15513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)C(=O)[O-].O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)C(=O)[O-].O.[Na+]

InChI

InChI=1S/C9H8O3.Na.H2O/c10-8(9(11)12)6-7-4-2-1-3-5-7;;/h1-5H,6H2,(H,11,12);;1H2/q;+1;/p-1