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methyl 5-oxidanylidene-3-phenyl-hexanedithioate

methyl 5-oxidanylidene-3-phenyl-hexanedithioate

Systemtic Name:methyl 5-oxidanylidene-3-phenyl-hexanedithioate
Openeye Name:methyl 5-oxo-3-phenyl-hexanedithioate
CAS Name:5-oxo-3-phenylhexanedithioic acid methyl ester
IUPAC Name:methyl 5-oxo-3-phenylhexanedithioate
Traditional Name:5-keto-3-phenyl-hexanedithioic acid methyl ester
Formula: C13H16OS2
MolecularWeight: 252.39554
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CC(=S)SC)C1=CC=CC=C1


Isomeric SMILES

CC(=O)CC(CC(=S)SC)C1=CC=CC=C1


InChI

InChI=1S/C13H16OS2/c1-10(14)8-12(9-13(15)16-2)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3


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