phenyl 2-chloranyl-2,4-dimethyl-3-oxidanyl-pentanoate

Systemtic Name: phenyl 2-chloranyl-2,4-dimethyl-3-oxidanyl-pentanoate Openeye Name: phenyl 2-chloro-3-hydroxy-2,4-dimethyl-pentanoate CAS Name: 2-chloro-3-hydroxy-2,4-dimethylpentanoic acid phenyl ester IUPAC Name: phenyl 2-chloro-3-hydroxy-2,4-dimethylpentanoate Traditional Name: 2-chloro-3-hydroxy-2,4-dimethyl-valeric acid phenyl ester Formula: C13H17ClO3 MolecularWeight: 256.72528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)(C(=O)OC1=CC=CC=C1)Cl)O

Isomeric SMILES

CC(C)C(C(C)(C(=O)OC1=CC=CC=C1)Cl)O

InChI

InChI=1S/C13H17ClO3/c1-9(2)11(15)13(3,14)12(16)17-10-7-5-4-6-8-10/h4-9,11,15H,1-3H3