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

Systemtic Name: sodium (2R)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-oxidanyl-propanoate Openeye Name: sodium (2R)-2-hydroxy-3-(4-hydroxy-3,5-dimethyl-phenyl)propanoate CAS Name: sodium (2R)-2-hydroxy-3-(4-hydroxy-3,5-dimethylphenyl)propanoate IUPAC Name: sodium (2R)-2-hydroxy-3-(4-hydroxy-3,5-dimethylphenyl)propanoate Traditional Name: sodium (2R)-2-hydroxy-3-(4-hydroxy-3,5-dimethyl-phenyl)propionate Formula: C11H13NaO4 MolecularWeight: 232.20829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CC(C(=O)[O-])O.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[C@H](C(=O)[O-])O.[Na+]

InChI

InChI=1S/C11H14O4.Na/c1-6-3-8(4-7(2)10(6)13)5-9(12)11(14)15;/h3-4,9,12-13H,5H2,1-2H3,(H,14,15);/q;+1/p-1/t9-;/m1./s1