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S-(2-butyl-2-methanoyl-hexyl) ethanethioate

S-(2-butyl-2-methanoyl-hexyl) ethanethioate

Systemtic Name:S-(2-butyl-2-methanoyl-hexyl) ethanethioate
Openeye Name:S-(2-butyl-2-formyl-hexyl) ethanethioate
CAS Name:ethanethioic acid S-(2-butyl-2-formylhexyl) ester
IUPAC Name:S-(2-butyl-2-formylhexyl) ethanethioate
Traditional Name:ethanethioic acid S-(2-butyl-2-formyl-hexyl) ester
Formula: C13H24O2S
MolecularWeight: 244.39346
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(CSC(=O)C)C=O


Isomeric SMILES

CCCCC(CCCC)(CSC(=O)C)C=O


InChI

InChI=1S/C13H24O2S/c1-4-6-8-13(10-14,9-7-5-2)11-16-12(3)15/h10H,4-9,11H2,1-3H3


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