1-(5-chloranyl-2-oxidanyl-phenyl)-3,5,5-trimethyl-hexan-1-one

Systemtic Name: 1-(5-chloranyl-2-oxidanyl-phenyl)-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-(5-chloro-2-hydroxy-phenyl)-3,5,5-trimethyl-hexan-1-one CAS Name: 1-(5-chloro-2-hydroxyphenyl)-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-(5-chloro-2-hydroxyphenyl)-3,5,5-trimethylhexan-1-one Traditional Name: 1-(5-chloro-2-hydroxy-phenyl)-3,5,5-trimethyl-hexan-1-one Formula: C15H21ClO2 MolecularWeight: 268.77904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClO2/c1-10(9-15(2,3)4)7-14(18)12-8-11(16)5-6-13(12)17/h5-6,8,10,17H,7,9H2,1-4H3