(2S)-3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-methyl-propanoate

Systemtic Name: (2S)-3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-methyl-propanoate Openeye Name: (2S)-3-(4-hydroxy-2,6-dimethyl-phenyl)-2-methyl-propanoate CAS Name: (2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-methylpropanoate IUPAC Name: (2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-methylpropanoate Traditional Name: (2S)-3-(4-hydroxy-2,6-dimethyl-phenyl)-2-methyl-propionate Formula: C12H15O3- MolecularWeight: 207.2457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C)C(=O)[O-])C)O

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3/c1-7-4-10(13)5-8(2)11(7)6-9(3)12(14)15/h4-5,9,13H,6H2,1-3H3,(H,14,15)/p-1/t9-/m0/s1