1-(3-dodecan-3-ylsulfanylpropyl)azepane-2,7-dione

Systemtic Name: 1-(3-dodecan-3-ylsulfanylpropyl)azepane-2,7-dione Openeye Name: 1-[3-(1-ethyldecylsulfanyl)propyl]azepane-2,7-dione CAS Name: 1-[3-(dodecan-3-ylthio)propyl]azepane-2,7-dione IUPAC Name: 1-(3-dodecan-3-ylsulfanylpropyl)azepane-2,7-dione Traditional Name: 1-[3-(1-ethyldecylthio)propyl]azepane-2,7-quinone Formula: C21H39NO2S MolecularWeight: 369.60486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC)SCCCN1C(=O)CCCCC1=O

Isomeric SMILES

CCCCCCCCCC(CC)SCCCN1C(=O)CCCCC1=O

InChI

InChI=1S/C21H39NO2S/c1-3-5-6-7-8-9-10-14-19(4-2)25-18-13-17-22-20(23)15-11-12-16-21(22)24/h19H,3-18H2,1-2H3