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6-heptylthian-2-one

6-heptylthian-2-one

Systemtic Name:6-heptylthian-2-one
Openeye Name:6-heptyltetrahydrothiopyran-2-one
CAS Name:6-heptyl-2-thianone
IUPAC Name:6-heptylthian-2-one
Traditional Name:6-heptyltetrahydrothiopyran-2-one
Formula: C12H22OS
MolecularWeight: 214.36748
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCCC(=O)S1


Isomeric SMILES

CCCCCCCC1CCCC(=O)S1


InChI

InChI=1S/C12H22OS/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3


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