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

Systemtic Name: 1-(3-octadecan-3-ylsulfanylpropyl)azepane-2,7-dione Openeye Name: 1-[3-(1-ethylhexadecylsulfanyl)propyl]azepane-2,7-dione CAS Name: 1-[3-(octadecan-3-ylthio)propyl]azepane-2,7-dione IUPAC Name: 1-(3-octadecan-3-ylsulfanylpropyl)azepane-2,7-dione Traditional Name: 1-[3-(1-ethylhexadecylthio)propyl]azepane-2,7-quinone Formula: C27H51NO2S MolecularWeight: 453.76434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC)SCCCN1C(=O)CCCCC1=O

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC)SCCCN1C(=O)CCCCC1=O

InChI

InChI=1S/C27H51NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-25(4-2)31-24-19-23-28-26(29)21-17-18-22-27(28)30/h25H,3-24H2,1-2H3