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2-(cyclohexa-2,4-dien-1-ylmethylsulfanyl)ethyl butanoate

2-(cyclohexa-2,4-dien-1-ylmethylsulfanyl)ethyl butanoate

Systemtic Name:2-(cyclohexa-2,4-dien-1-ylmethylsulfanyl)ethyl butanoate
Openeye Name:2-(cyclohexa-2,4-dien-1-ylmethylsulfanyl)ethyl butanoate
CAS Name:butanoic acid 2-(1-cyclohexa-2,4-dienylmethylthio)ethyl ester
IUPAC Name:2-(cyclohexa-2,4-dien-1-ylmethylsulfanyl)ethyl butanoate
Traditional Name:butyric acid 2-(cyclohexa-2,4-dien-1-ylmethylthio)ethyl ester
Formula: C13H20O2S
MolecularWeight: 240.3617
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCSCC1CC=CC=C1


Isomeric SMILES

CCCC(=O)OCCSCC1CC=CC=C1


InChI

InChI=1S/C13H20O2S/c1-2-6-13(14)15-9-10-16-11-12-7-4-3-5-8-12/h3-5,7,12H,2,6,8-11H2,1H3


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