1-(10-octadecan-9-ylsulfanyldecyl)azepane-2,7-dione

Systemtic Name: 1-(10-octadecan-9-ylsulfanyldecyl)azepane-2,7-dione Openeye Name: 1-[10-(1-octyldecylsulfanyl)decyl]azepane-2,7-dione CAS Name: 1-[10-(octadecan-9-ylthio)decyl]azepane-2,7-dione IUPAC Name: 1-(10-octadecan-9-ylsulfanyldecyl)azepane-2,7-dione Traditional Name: 1-[10-(1-octyldecylthio)decyl]azepane-2,7-quinone Formula: C34H65NO2S MolecularWeight: 551.9504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)SCCCCCCCCCCN1C(=O)CCCCC1=O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)SCCCCCCCCCCN1C(=O)CCCCC1=O

InChI

InChI=1S/C34H65NO2S/c1-3-5-7-9-13-17-21-27-32(26-20-16-10-8-6-4-2)38-31-25-19-15-12-11-14-18-24-30-35-33(36)28-22-23-29-34(35)37/h32H,3-31H2,1-2H3