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3-thianthren-5-ium-5-ylpentan-2-one

3-thianthren-5-ium-5-ylpentan-2-one

Systemtic Name:3-thianthren-5-ium-5-ylpentan-2-one
Openeye Name:3-thianthren-5-ium-5-ylpentan-2-one
CAS Name:3-(5-thianthren-5-iumyl)-2-pentanone
IUPAC Name:3-thianthren-5-ium-5-ylpentan-2-one
Traditional Name:3-thianthren-5-ium-5-ylpentan-2-one
Formula: C17H17OS2+
MolecularWeight: 301.44628
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)[S+]1C2=CC=CC=C2SC3=CC=CC=C31


Isomeric SMILES

CCC(C(=O)C)[S+]1C2=CC=CC=C2SC3=CC=CC=C31


InChI

InChI=1S/C17H17OS2/c1-3-15(12(2)18)20-16-10-6-4-8-13(16)19-14-9-5-7-11-17(14)20/h4-11,15H,3H2,1-2H3/q+1


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