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

Systemtic Name: phenyl 2-chloranyl-2,4,4-trimethyl-3-oxidanyl-pentanoate Openeye Name: phenyl 2-chloro-3-hydroxy-2,4,4-trimethyl-pentanoate CAS Name: 2-chloro-3-hydroxy-2,4,4-trimethylpentanoic acid phenyl ester IUPAC Name: phenyl 2-chloro-3-hydroxy-2,4,4-trimethylpentanoate Traditional Name: 2-chloro-3-hydroxy-2,4,4-trimethyl-valeric acid phenyl ester Formula: C14H19ClO3 MolecularWeight: 270.75186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClO3/c1-13(2,3)11(16)14(4,15)12(17)18-10-8-6-5-7-9-10/h5-9,11,16H,1-4H3