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1-(2-octadecan-2-ylsulfanylethyl)azepane-2,7-dione

1-(2-octadecan-2-ylsulfanylethyl)azepane-2,7-dione

Systemtic Name:1-(2-octadecan-2-ylsulfanylethyl)azepane-2,7-dione
Openeye Name:1-[2-(1-methylheptadecylsulfanyl)ethyl]azepane-2,7-dione
CAS Name:1-[2-(octadecan-2-ylthio)ethyl]azepane-2,7-dione
IUPAC Name:1-(2-octadecan-2-ylsulfanylethyl)azepane-2,7-dione
Traditional Name:1-[2-(1-methylheptadecylthio)ethyl]azepane-2,7-quinone
Formula: C26H49NO2S
MolecularWeight: 439.73776
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)SCCN1C(=O)CCCCC1=O


Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)SCCN1C(=O)CCCCC1=O


InChI

InChI=1S/C26H49NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(2)30-23-22-27-25(28)20-17-18-21-26(27)29/h24H,3-23H2,1-2H3


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