(3S)-1-chloranyl-3-(3,5-dimethylphenoxy)butan-2-one

Systemtic Name: (3S)-1-chloranyl-3-(3,5-dimethylphenoxy)butan-2-one Openeye Name: (3S)-1-chloro-3-(3,5-dimethylphenoxy)butan-2-one CAS Name: (3S)-1-chloro-3-(3,5-dimethylphenoxy)-2-butanone IUPAC Name: (3S)-1-chloro-3-(3,5-dimethylphenoxy)butan-2-one Traditional Name: (3S)-1-chloro-3-(3,5-dimethylphenoxy)butan-2-one Formula: C12H15ClO2 MolecularWeight: 226.6993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(C)C(=O)CCl)C

Isomeric SMILES

CC1=CC(=CC(=C1)O[C@@H](C)C(=O)CCl)C

InChI

InChI=1S/C12H15ClO2/c1-8-4-9(2)6-11(5-8)15-10(3)12(14)7-13/h4-6,10H,7H2,1-3H3/t10-/m0/s1