phenethyl 2-chloranyl-3-methyl-3-oxidanyl-butanoate

Systemtic Name: phenethyl 2-chloranyl-3-methyl-3-oxidanyl-butanoate Openeye Name: phenethyl 2-chloro-3-hydroxy-3-methyl-butanoate CAS Name: 2-chloro-3-hydroxy-3-methylbutanoic acid phenethyl ester IUPAC Name: phenethyl 2-chloro-3-hydroxy-3-methylbutanoate Traditional Name: 2-chloro-3-hydroxy-3-methyl-butyric acid phenethyl ester Formula: C13H17ClO3 MolecularWeight: 256.72528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OCCC1=CC=CC=C1)Cl)O

Isomeric SMILES

CC(C)(C(C(=O)OCCC1=CC=CC=C1)Cl)O

InChI

InChI=1S/C13H17ClO3/c1-13(2,16)11(14)12(15)17-9-8-10-6-4-3-5-7-10/h3-7,11,16H,8-9H2,1-2H3