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6-pentyl-3-phenylsulfanyl-oxan-2-one

6-pentyl-3-phenylsulfanyl-oxan-2-one

Systemtic Name:6-pentyl-3-phenylsulfanyl-oxan-2-one
Openeye Name:6-pentyl-3-phenylsulfanyl-tetrahydropyran-2-one
CAS Name:6-pentyl-3-(phenylthio)-2-oxanone
IUPAC Name:6-pentyl-3-phenylsulfanyloxan-2-one
Traditional Name:6-amyl-3-(phenylthio)tetrahydropyran-2-one
Formula: C16H22O2S
MolecularWeight: 278.40968
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(C(=O)O1)SC2=CC=CC=C2


Isomeric SMILES

CCCCCC1CCC(C(=O)O1)SC2=CC=CC=C2


InChI

InChI=1S/C16H22O2S/c1-2-3-5-8-13-11-12-15(16(17)18-13)19-14-9-6-4-7-10-14/h4,6-7,9-10,13,15H,2-3,5,8,11-12H2,1H3


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