(4S)-4-(2,5-dimethoxyphenyl)-4-oxidanyl-butanoate

Systemtic Name: (4S)-4-(2,5-dimethoxyphenyl)-4-oxidanyl-butanoate Openeye Name: (4S)-4-(2,5-dimethoxyphenyl)-4-hydroxy-butanoate CAS Name: (4S)-4-(2,5-dimethoxyphenyl)-4-hydroxybutanoate IUPAC Name: (4S)-4-(2,5-dimethoxyphenyl)-4-hydroxybutanoate Traditional Name: (4S)-4-(2,5-dimethoxyphenyl)-4-hydroxy-butyrate Formula: C12H15O5- MolecularWeight: 239.2445

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(CCC(=O)[O-])O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H](CCC(=O)[O-])O

InChI

InChI=1S/C12H16O5/c1-16-8-3-5-11(17-2)9(7-8)10(13)4-6-12(14)15/h3,5,7,10,13H,4,6H2,1-2H3,(H,14,15)/p-1/t10-/m0/s1