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

Systemtic Name: 1-(5-dodecan-5-ylsulfanylpentyl)azepane-2,7-dione Openeye Name: 1-[5-(1-butyloctylsulfanyl)pentyl]azepane-2,7-dione CAS Name: 1-[5-(dodecan-5-ylthio)pentyl]azepane-2,7-dione IUPAC Name: 1-(5-dodecan-5-ylsulfanylpentyl)azepane-2,7-dione Traditional Name: 1-[5-(1-butyloctylthio)pentyl]azepane-2,7-quinone Formula: C23H43NO2S MolecularWeight: 397.65802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCC)SCCCCCN1C(=O)CCCCC1=O

Isomeric SMILES

CCCCCCCC(CCCC)SCCCCCN1C(=O)CCCCC1=O

InChI

InChI=1S/C23H43NO2S/c1-3-5-7-8-10-16-21(15-6-4-2)27-20-14-9-13-19-24-22(25)17-11-12-18-23(24)26/h21H,3-20H2,1-2H3