sodium (2S)-2-oxidanyl-3-phenyl-propanoate

Systemtic Name: sodium (2S)-2-oxidanyl-3-phenyl-propanoate Openeye Name: sodium (2S)-2-hydroxy-3-phenyl-propanoate CAS Name: sodium (2S)-2-hydroxy-3-phenylpropanoate IUPAC Name: sodium (2S)-2-hydroxy-3-phenylpropanoate Traditional Name: sodium (2S)-2-hydroxy-3-phenyl-propionate Formula: C9H9NaO3 MolecularWeight: 188.15573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O3.Na/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8,10H,6H2,(H,11,12);/q;+1/p-1/t8-;/m0./s1