(E)-3-[2,6-bis(fluoranyl)-4-hexylsulfanyl-phenyl]-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-[2,6-bis(fluoranyl)-4-hexylsulfanyl-phenyl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(2,6-difluoro-4-hexylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[2,6-difluoro-4-(hexylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(2,6-difluoro-4-hexylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[2,6-difluoro-4-(hexylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C21H22F2OS MolecularWeight: 360.460586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC(=C(C(=C1)F)C=CC(=O)C2=CC=CC=C2)F

Isomeric SMILES

CCCCCCSC1=CC(=C(C(=C1)F)/C=C/C(=O)C2=CC=CC=C2)F

InChI

InChI=1S/C21H22F2OS/c1-2-3-4-8-13-25-17-14-19(22)18(20(23)15-17)11-12-21(24)16-9-6-5-7-10-16/h5-7,9-12,14-15H,2-4,8,13H2,1H3/b12-11+