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(2S)-2-(2,5-dimethylphenyl)butanoate

(2S)-2-(2,5-dimethylphenyl)butanoate

Systemtic Name:(2S)-2-(2,5-dimethylphenyl)butanoate
Openeye Name:(2S)-2-(2,5-dimethylphenyl)butanoate
CAS Name:(2S)-2-(2,5-dimethylphenyl)butanoate
IUPAC Name:(2S)-2-(2,5-dimethylphenyl)butanoate
Traditional Name:(2S)-2-(2,5-dimethylphenyl)butyrate
Formula: C12H15O2-
MolecularWeight: 191.2463
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H16O2/c1-4-10(12(13)14)11-7-8(2)5-6-9(11)3/h5-7,10H,4H2,1-3H3,(H,13,14)/p-1/t10-/m0/s1


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