sodium 4-(3,4-dimethoxyphenyl)-4-oxidanyl-butanoate

Systemtic Name: sodium 4-(3,4-dimethoxyphenyl)-4-oxidanyl-butanoate Openeye Name: sodium 4-(3,4-dimethoxyphenyl)-4-hydroxy-butanoate CAS Name: sodium 4-(3,4-dimethoxyphenyl)-4-hydroxybutanoate IUPAC Name: sodium 4-(3,4-dimethoxyphenyl)-4-hydroxybutanoate Traditional Name: sodium 4-(3,4-dimethoxyphenyl)-4-hydroxy-butyrate Formula: C12H15NaO5 MolecularWeight: 262.23427

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCC(=O)[O-])O)OC.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCC(=O)[O-])O)OC.[Na+]

InChI

InChI=1S/C12H16O5.Na/c1-16-10-5-3-8(7-11(10)17-2)9(13)4-6-12(14)15;/h3,5,7,9,13H,4,6H2,1-2H3,(H,14,15);/q;+1/p-1