(E)-1-phenyl-3-[2,4,6-tris(iodanyl)-4-octylsulfanyl-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one

Systemtic Name: (E)-1-phenyl-3-[2,4,6-tris(iodanyl)-4-octylsulfanyl-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(2,4,6-triiodo-4-octylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[2,4,6-triiodo-4-(octylthio)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(2,4,6-triiodo-4-octylsulfanylcyclohexa-2,5-dien-1-yl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[2,4,6-triiodo-4-(octylthio)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C23H27I3OS MolecularWeight: 732.23829

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1(C=C(C(C(=C1)I)C=CC(=O)C2=CC=CC=C2)I)I

Isomeric SMILES

CCCCCCCCSC1(C=C(C(C(=C1)I)/C=C/C(=O)C2=CC=CC=C2)I)I

InChI

InChI=1S/C23H27I3OS/c1-2-3-4-5-6-10-15-28-23(26)16-20(24)19(21(25)17-23)13-14-22(27)18-11-8-7-9-12-18/h7-9,11-14,16-17,19H,2-6,10,15H2,1H3/b14-13+