(4S)-4-(2,4-dimethylphenyl)-4-oxidanyl-butanoate

Systemtic Name: (4S)-4-(2,4-dimethylphenyl)-4-oxidanyl-butanoate Openeye Name: (4S)-4-(2,4-dimethylphenyl)-4-hydroxy-butanoate CAS Name: (4S)-4-(2,4-dimethylphenyl)-4-hydroxybutanoate IUPAC Name: (4S)-4-(2,4-dimethylphenyl)-4-hydroxybutanoate Traditional Name: (4S)-4-(2,4-dimethylphenyl)-4-hydroxy-butyrate Formula: C12H15O3- MolecularWeight: 207.2457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(CCC(=O)[O-])O)C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H](CCC(=O)[O-])O)C

InChI

InChI=1S/C12H16O3/c1-8-3-4-10(9(2)7-8)11(13)5-6-12(14)15/h3-4,7,11,13H,5-6H2,1-2H3,(H,14,15)/p-1/t11-/m0/s1