(3S)-3-(2,5-dimethylphenyl)-3-oxidanyl-pentanoate

Systemtic Name: (3S)-3-(2,5-dimethylphenyl)-3-oxidanyl-pentanoate Openeye Name: (3S)-3-(2,5-dimethylphenyl)-3-hydroxy-pentanoate CAS Name: (3S)-3-(2,5-dimethylphenyl)-3-hydroxypentanoate IUPAC Name: (3S)-3-(2,5-dimethylphenyl)-3-hydroxypentanoate Traditional Name: (3S)-3-(2,5-dimethylphenyl)-3-hydroxy-valerate Formula: C13H17O3- MolecularWeight: 221.27228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@](CC(=O)[O-])(C1=C(C=CC(=C1)C)C)O

InChI

InChI=1S/C13H18O3/c1-4-13(16,8-12(14)15)11-7-9(2)5-6-10(11)3/h5-7,16H,4,8H2,1-3H3,(H,14,15)/p-1/t13-/m0/s1