1-[2,4-bis(oxidanyl)-3-[3,3,3-tris(fluoranyl)propyl]phenyl]ethanone; pentane

Systemtic Name: 1-[2,4-bis(oxidanyl)-3-[3,3,3-tris(fluoranyl)propyl]phenyl]ethanone; pentane Openeye Name: 1-[2,4-dihydroxy-3-(3,3,3-trifluoropropyl)phenyl]ethanone; pentane CAS Name: 1-[2,4-dihydroxy-3-(3,3,3-trifluoropropyl)phenyl]ethanone; pentane IUPAC Name: 1-[2,4-dihydroxy-3-(3,3,3-trifluoropropyl)phenyl]ethanone; pentane Traditional Name: 1-[2,4-dihydroxy-3-(3,3,3-trifluoropropyl)phenyl]ethanone; n-pentane Formula: C16H23F3O3 MolecularWeight: 320.34723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC.CC(=O)C1=C(C(=C(C=C1)O)CCC(F)(F)F)O

Isomeric SMILES

CCCCC.CC(=O)C1=C(C(=C(C=C1)O)CCC(F)(F)F)O

InChI

InChI=1S/C11H11F3O3.C5H12/c1-6(15)7-2-3-9(16)8(10(7)17)4-5-11(12,13)14;1-3-5-4-2/h2-3,16-17H,4-5H2,1H3;3-5H2,1-2H3