6-[3,4-bis(oxidanyl)phenyl]-1-(diethylamino)hexan-3-one

Systemtic Name: 6-[3,4-bis(oxidanyl)phenyl]-1-(diethylamino)hexan-3-one Openeye Name: 1-(diethylamino)-6-(3,4-dihydroxyphenyl)hexan-3-one CAS Name: 1-(diethylamino)-6-(3,4-dihydroxyphenyl)-3-hexanone IUPAC Name: 1-(diethylamino)-6-(3,4-dihydroxyphenyl)hexan-3-one Traditional Name: 1-(diethylamino)-6-(3,4-dihydroxyphenyl)hexan-3-one Formula: C16H25NO3 MolecularWeight: 279.3746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(=O)CCCC1=CC(=C(C=C1)O)O

Isomeric SMILES

CCN(CC)CCC(=O)CCCC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C16H25NO3/c1-3-17(4-2)11-10-14(18)7-5-6-13-8-9-15(19)16(20)12-13/h8-9,12,19-20H,3-7,10-11H2,1-2H3