(5R)-5-(2,4-dimethylphenyl)-5-oxidanyl-pentanoate

Systemtic Name: (5R)-5-(2,4-dimethylphenyl)-5-oxidanyl-pentanoate Openeye Name: (5R)-5-(2,4-dimethylphenyl)-5-hydroxy-pentanoate CAS Name: (5R)-5-(2,4-dimethylphenyl)-5-hydroxypentanoate IUPAC Name: (5R)-5-(2,4-dimethylphenyl)-5-hydroxypentanoate Traditional Name: (5R)-5-(2,4-dimethylphenyl)-5-hydroxy-valerate Formula: C13H17O3- MolecularWeight: 221.27228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-9-6-7-11(10(2)8-9)12(14)4-3-5-13(15)16/h6-8,12,14H,3-5H2,1-2H3,(H,15,16)/p-1/t12-/m1/s1