sodium 4-[2,4-dimethoxy-5-(phenylmethyl)phenyl]-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-[2,4-dimethoxy-5-(phenylmethyl)phenyl]-4-oxidanylidene-butanoate Openeye Name: sodium 4-(5-benzyl-2,4-dimethoxy-phenyl)-4-oxo-butanoate CAS Name: sodium 4-[2,4-dimethoxy-5-(phenylmethyl)phenyl]-4-oxobutanoate IUPAC Name: sodium 4-(5-benzyl-2,4-dimethoxyphenyl)-4-oxobutanoate Traditional Name: sodium 4-(5-benzyl-2,4-dimethoxy-phenyl)-4-keto-butyrate Formula: C19H19NaO5 MolecularWeight: 350.34093

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)CCC(=O)[O-])CC2=CC=CC=C2)OC.[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)CCC(=O)[O-])CC2=CC=CC=C2)OC.[Na+]

InChI

InChI=1S/C19H20O5.Na/c1-23-17-12-18(24-2)15(16(20)8-9-19(21)22)11-14(17)10-13-6-4-3-5-7-13;/h3-7,11-12H,8-10H2,1-2H3,(H,21,22);/q;+1/p-1