1-[4-(3-bromanyl-2-oxidanyl-hexoxy)phenyl]pentan-1-one

Systemtic Name: 1-[4-(3-bromanyl-2-oxidanyl-hexoxy)phenyl]pentan-1-one Openeye Name: 1-[4-(3-bromo-2-hydroxy-hexoxy)phenyl]pentan-1-one CAS Name: 1-[4-(3-bromo-2-hydroxyhexoxy)phenyl]-1-pentanone IUPAC Name: 1-[4-(3-bromo-2-hydroxyhexoxy)phenyl]pentan-1-one Traditional Name: 1-[4-(3-bromo-2-hydroxy-hexoxy)phenyl]pentan-1-one Formula: C17H25BrO3 MolecularWeight: 357.2826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC=C(C=C1)OCC(C(CCC)Br)O

Isomeric SMILES

CCCCC(=O)C1=CC=C(C=C1)OCC(C(CCC)Br)O

InChI

InChI=1S/C17H25BrO3/c1-3-5-7-16(19)13-8-10-14(11-9-13)21-12-17(20)15(18)6-4-2/h8-11,15,17,20H,3-7,12H2,1-2H3