sodium 2-oxidanyl-3-phenyl-propanoate hydrate

Systemtic Name: sodium 2-oxidanyl-3-phenyl-propanoate hydrate Openeye Name: sodium 2-hydroxy-3-phenyl-propanoate hydrate CAS Name: sodium 2-hydroxy-3-phenylpropanoate hydrate IUPAC Name: sodium 2-hydroxy-3-phenylpropanoate hydrate Traditional Name: sodium 2-hydroxy-3-phenyl-propionate hydrate Formula: C9H11NaO4 MolecularWeight: 206.17101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O3.Na.H2O/c10-8(9(11)12)6-7-4-2-1-3-5-7;;/h1-5,8,10H,6H2,(H,11,12);;1H2/q;+1;/p-1