(4S)-4-oxidanyl-4-(2,3,5,6-tetramethylphenyl)butanoate

Systemtic Name: (4S)-4-oxidanyl-4-(2,3,5,6-tetramethylphenyl)butanoate Openeye Name: (4S)-4-hydroxy-4-(2,3,5,6-tetramethylphenyl)butanoate CAS Name: (4S)-4-hydroxy-4-(2,3,5,6-tetramethylphenyl)butanoate IUPAC Name: (4S)-4-hydroxy-4-(2,3,5,6-tetramethylphenyl)butanoate Traditional Name: (4S)-4-hydroxy-4-(2,3,5,6-tetramethylphenyl)butyrate Formula: C14H19O3- MolecularWeight: 235.29886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)C(CCC(=O)[O-])O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)[C@H](CCC(=O)[O-])O)C)C

InChI

InChI=1S/C14H20O3/c1-8-7-9(2)11(4)14(10(8)3)12(15)5-6-13(16)17/h7,12,15H,5-6H2,1-4H3,(H,16,17)/p-1/t12-/m0/s1