4-[(E)-3-[2,3,5,6-tetrakis(fluoranyl)-4-(4-methyl-2-methylsulfanyl-phenoxy)phenyl]prop-2-enyl]morpholine hydrochloride

Systemtic Name: 4-[(E)-3-[2,3,5,6-tetrakis(fluoranyl)-4-(4-methyl-2-methylsulfanyl-phenoxy)phenyl]prop-2-enyl]morpholine hydrochloride Openeye Name: 4-[(E)-3-[2,3,5,6-tetrafluoro-4-(4-methyl-2-methylsulfanyl-phenoxy)phenyl]allyl]morpholine hydrochloride CAS Name: 4-[(E)-3-[2,3,5,6-tetrafluoro-4-[4-methyl-2-(methylthio)phenoxy]phenyl]prop-2-enyl]morpholine hydrochloride IUPAC Name: 4-[(E)-3-[2,3,5,6-tetrafluoro-4-(4-methyl-2-methylsulfanylphenoxy)phenyl]prop-2-enyl]morpholine hydrochloride Traditional Name: 4-[(E)-3-[2,3,5,6-tetrafluoro-4-[4-methyl-2-(methylthio)phenoxy]phenyl]allyl]morpholine hydrochloride Formula: C21H22ClF4NO2S MolecularWeight: 463.916493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=C(C(=C(C(=C2F)F)C=CCN3CCOCC3)F)F)SC.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C(C(=C(C(=C2F)F)/C=C/CN3CCOCC3)F)F)SC.Cl

InChI

InChI=1S/C21H21F4NO2S.ClH/c1-13-5-6-15(16(12-13)29-2)28-21-19(24)17(22)14(18(23)20(21)25)4-3-7-26-8-10-27-11-9-26;/h3-6,12H,7-11H2,1-2H3;1H/b4-3+;