sodium 4-(4-acetamidophenyl)-4-oxidanyl-butanoate

Systemtic Name: sodium 4-(4-acetamidophenyl)-4-oxidanyl-butanoate Openeye Name: sodium 4-(4-acetamidophenyl)-4-hydroxy-butanoate CAS Name: sodium 4-(4-acetamidophenyl)-4-hydroxybutanoate IUPAC Name: sodium 4-(4-acetamidophenyl)-4-hydroxybutanoate Traditional Name: sodium 4-(4-acetamidophenyl)-4-hydroxy-butyrate Formula: C12H14NNaO4 MolecularWeight: 259.23363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(CCC(=O)[O-])O.[Na+]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(CCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C12H15NO4.Na/c1-8(14)13-10-4-2-9(3-5-10)11(15)6-7-12(16)17;/h2-5,11,15H,6-7H2,1H3,(H,13,14)(H,16,17);/q;+1/p-1