sodium (2R)-3-(4-methoxy-3,5-dimethyl-phenyl)-2-oxidanyl-propanoate

Systemtic Name: sodium (2R)-3-(4-methoxy-3,5-dimethyl-phenyl)-2-oxidanyl-propanoate Openeye Name: sodium (2R)-2-hydroxy-3-(4-methoxy-3,5-dimethyl-phenyl)propanoate CAS Name: sodium (2R)-2-hydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate IUPAC Name: sodium (2R)-2-hydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate Traditional Name: sodium (2R)-2-hydroxy-3-(4-methoxy-3,5-dimethyl-phenyl)propionate Formula: C12H15NaO4 MolecularWeight: 246.23487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)CC(C(=O)[O-])O.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C[C@H](C(=O)[O-])O.[Na+]

InChI

InChI=1S/C12H16O4.Na/c1-7-4-9(6-10(13)12(14)15)5-8(2)11(7)16-3;/h4-5,10,13H,6H2,1-3H3,(H,14,15);/q;+1/p-1/t10-;/m1./s1