1-(5-octadecan-5-ylsulfanylpentyl)azepane-2,7-dione

Systemtic Name: 1-(5-octadecan-5-ylsulfanylpentyl)azepane-2,7-dione Openeye Name: 1-[5-(1-butyltetradecylsulfanyl)pentyl]azepane-2,7-dione CAS Name: 1-[5-(octadecan-5-ylthio)pentyl]azepane-2,7-dione IUPAC Name: 1-(5-octadecan-5-ylsulfanylpentyl)azepane-2,7-dione Traditional Name: 1-[5-(1-butyltetradecylthio)pentyl]azepane-2,7-quinone Formula: C29H55NO2S MolecularWeight: 481.8175

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCC)SCCCCCN1C(=O)CCCCC1=O

Isomeric SMILES

CCCCCCCCCCCCCC(CCCC)SCCCCCN1C(=O)CCCCC1=O

InChI

InChI=1S/C29H55NO2S/c1-3-5-7-8-9-10-11-12-13-14-16-22-27(21-6-4-2)33-26-20-15-19-25-30-28(31)23-17-18-24-29(30)32/h27H,3-26H2,1-2H3