1-(5-octan-4-ylsulfanylpentyl)azepane-2,7-dione

Systemtic Name: 1-(5-octan-4-ylsulfanylpentyl)azepane-2,7-dione Openeye Name: 1-[5-(1-propylpentylsulfanyl)pentyl]azepane-2,7-dione CAS Name: 1-[5-(octan-4-ylthio)pentyl]azepane-2,7-dione IUPAC Name: 1-(5-octan-4-ylsulfanylpentyl)azepane-2,7-dione Traditional Name: 1-[5-(1-propylpentylthio)pentyl]azepane-2,7-quinone Formula: C19H35NO2S MolecularWeight: 341.5517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)SCCCCCN1C(=O)CCCCC1=O

Isomeric SMILES

CCCCC(CCC)SCCCCCN1C(=O)CCCCC1=O

InChI

InChI=1S/C19H35NO2S/c1-3-5-12-17(11-4-2)23-16-10-6-9-15-20-18(21)13-7-8-14-19(20)22/h17H,3-16H2,1-2H3