sodium 3-(3,5-dimethyl-2-oxidanyl-phenyl)butanoate

Systemtic Name: sodium 3-(3,5-dimethyl-2-oxidanyl-phenyl)butanoate Openeye Name: sodium 3-(2-hydroxy-3,5-dimethyl-phenyl)butanoate CAS Name: sodium 3-(2-hydroxy-3,5-dimethylphenyl)butanoate IUPAC Name: sodium 3-(2-hydroxy-3,5-dimethylphenyl)butanoate Traditional Name: sodium 3-(2-hydroxy-3,5-dimethyl-phenyl)butyrate Formula: C12H15NaO3 MolecularWeight: 230.23547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)CC(=O)[O-])O)C.[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)CC(=O)[O-])O)C.[Na+]

InChI

InChI=1S/C12H16O3.Na/c1-7-4-9(3)12(15)10(5-7)8(2)6-11(13)14;/h4-5,8,15H,6H2,1-3H3,(H,13,14);/q;+1/p-1