1-(5-chloranyl-2-oxidanyl-phenyl)-3,3-dimethyl-butan-1-one

Systemtic Name: 1-(5-chloranyl-2-oxidanyl-phenyl)-3,3-dimethyl-butan-1-one Openeye Name: 1-(5-chloro-2-hydroxy-phenyl)-3,3-dimethyl-butan-1-one CAS Name: 1-(5-chloro-2-hydroxyphenyl)-3,3-dimethyl-1-butanone IUPAC Name: 1-(5-chloro-2-hydroxyphenyl)-3,3-dimethylbutan-1-one Traditional Name: 1-(5-chloro-2-hydroxy-phenyl)-3,3-dimethyl-butan-1-one Formula: C12H15ClO2 MolecularWeight: 226.6993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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