methyl 4-chloranyl-2,2-dimethyl-3-oxidanyl-3-phenyl-butanoate

Systemtic Name: methyl 4-chloranyl-2,2-dimethyl-3-oxidanyl-3-phenyl-butanoate Openeye Name: methyl 4-chloro-3-hydroxy-2,2-dimethyl-3-phenyl-butanoate CAS Name: 4-chloro-3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid methyl ester IUPAC Name: methyl 4-chloro-3-hydroxy-2,2-dimethyl-3-phenylbutanoate Traditional Name: 4-chloro-3-hydroxy-2,2-dimethyl-3-phenyl-butyric acid methyl ester Formula: C13H17ClO3 MolecularWeight: 256.72528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClO3/c1-12(2,11(15)17-3)13(16,9-14)10-7-5-4-6-8-10/h4-8,16H,9H2,1-3H3