pentan-2-yl 2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: pentan-2-yl 2-oxidanyl-2-phenyl-ethanoate Openeye Name: 1-methylbutyl 2-hydroxy-2-phenyl-acetate CAS Name: 2-hydroxy-2-phenylacetic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 2-hydroxy-2-phenylacetate Traditional Name: 2-hydroxy-2-phenyl-acetic acid 1-methylbutyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC(=O)C(C1=CC=CC=C1)O

Isomeric SMILES

CCCC(C)OC(=O)C(C1=CC=CC=C1)O

InChI

InChI=1S/C13H18O3/c1-3-7-10(2)16-13(15)12(14)11-8-5-4-6-9-11/h4-6,8-10,12,14H,3,7H2,1-2H3