1-[4-(chloromethyl)-2-oxidanyl-3-propyl-phenyl]pentan-1-one

Systemtic Name: 1-[4-(chloromethyl)-2-oxidanyl-3-propyl-phenyl]pentan-1-one Openeye Name: 1-[4-(chloromethyl)-2-hydroxy-3-propyl-phenyl]pentan-1-one CAS Name: 1-[4-(chloromethyl)-2-hydroxy-3-propylphenyl]-1-pentanone IUPAC Name: 1-[4-(chloromethyl)-2-hydroxy-3-propylphenyl]pentan-1-one Traditional Name: 1-[4-(chloromethyl)-2-hydroxy-3-propyl-phenyl]pentan-1-one Formula: C15H21ClO2 MolecularWeight: 268.77904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(C(=C(C=C1)CCl)CCC)O

Isomeric SMILES

CCCCC(=O)C1=C(C(=C(C=C1)CCl)CCC)O

InChI

InChI=1S/C15H21ClO2/c1-3-5-7-14(17)13-9-8-11(10-16)12(6-4-2)15(13)18/h8-9,18H,3-7,10H2,1-2H3