1-(3-chloranyl-4-oxidanyl-5-propyl-phenyl)propan-1-one

Systemtic Name: 1-(3-chloranyl-4-oxidanyl-5-propyl-phenyl)propan-1-one Openeye Name: 1-(3-chloro-4-hydroxy-5-propyl-phenyl)propan-1-one CAS Name: 1-(3-chloro-4-hydroxy-5-propylphenyl)-1-propanone IUPAC Name: 1-(3-chloro-4-hydroxy-5-propylphenyl)propan-1-one Traditional Name: 1-(3-chloro-4-hydroxy-5-propyl-phenyl)propan-1-one Formula: C12H15ClO2 MolecularWeight: 226.6993

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)C(=O)CC)Cl)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1)C(=O)CC)Cl)O

InChI

InChI=1S/C12H15ClO2/c1-3-5-8-6-9(11(14)4-2)7-10(13)12(8)15/h6-7,15H,3-5H2,1-2H3