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

Systemtic Name: (E)-1-phenyl-3-[3,4,5-tris(iodanyl)-4-methylsulfanyl-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(3,4,5-triiodo-4-methylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[3,4,5-triiodo-4-(methylthio)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(3,4,5-triiodo-4-methylsulfanylcyclohexa-2,5-dien-1-yl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[3,4,5-triiodo-4-(methylthio)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C16H13I3OS MolecularWeight: 634.05223

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(C(=CC(C=C1I)C=CC(=O)C2=CC=CC=C2)I)I

Isomeric SMILES

CSC1(C(=CC(C=C1I)/C=C/C(=O)C2=CC=CC=C2)I)I

InChI

InChI=1S/C16H13I3OS/c1-21-16(19)14(17)9-11(10-15(16)18)7-8-13(20)12-5-3-2-4-6-12/h2-11H,1H3/b8-7+