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

Systemtic Name: sodium (2S)-3-(2-hydroxyphenyl)-2-oxidanyl-propanoate Openeye Name: sodium (2S)-2-hydroxy-3-(2-hydroxyphenyl)propanoate CAS Name: sodium (2S)-2-hydroxy-3-(2-hydroxyphenyl)propanoate IUPAC Name: sodium (2S)-2-hydroxy-3-(2-hydroxyphenyl)propanoate Traditional Name: sodium (2S)-2-hydroxy-3-(2-hydroxyphenyl)propionate Formula: C9H9NaO4 MolecularWeight: 204.15513

Click to see the large picture

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

InChI

InChI=1S/C9H10O4.Na/c10-7-4-2-1-3-6(7)5-8(11)9(12)13;/h1-4,8,10-11H,5H2,(H,12,13);/q;+1/p-1/t8-;/m0./s1