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3-hexanoylsulfanylhexyl hexanoate

3-hexanoylsulfanylhexyl hexanoate

Systemtic Name:3-hexanoylsulfanylhexyl hexanoate
Openeye Name:3-hexanoylsulfanylhexyl hexanoate
CAS Name:hexanoic acid 3-(1-oxohexylthio)hexyl ester
IUPAC Name:3-hexanoylsulfanylhexyl hexanoate
Traditional Name:hexanoic acid 3-(caproylthio)hexyl ester
Formula: C18H34O3S
MolecularWeight: 330.52576
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCCC(CCC)SC(=O)CCCCC


Isomeric SMILES

CCCCCC(=O)OCCC(CCC)SC(=O)CCCCC


InChI

InChI=1S/C18H34O3S/c1-4-7-9-12-17(19)21-15-14-16(11-6-3)22-18(20)13-10-8-5-2/h16H,4-15H2,1-3H3


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