1-(10-dodecan-3-ylsulfanyldecyl)azepane-2,7-dione

Systemtic Name: 1-(10-dodecan-3-ylsulfanyldecyl)azepane-2,7-dione Openeye Name: 1-[10-(1-ethyldecylsulfanyl)decyl]azepane-2,7-dione CAS Name: 1-[10-(dodecan-3-ylthio)decyl]azepane-2,7-dione IUPAC Name: 1-(10-dodecan-3-ylsulfanyldecyl)azepane-2,7-dione Traditional Name: 1-[10-(1-ethyldecylthio)decyl]azepane-2,7-quinone Formula: C28H53NO2S MolecularWeight: 467.79092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC)SCCCCCCCCCCN1C(=O)CCCCC1=O

Isomeric SMILES

CCCCCCCCCC(CC)SCCCCCCCCCCN1C(=O)CCCCC1=O

InChI

InChI=1S/C28H53NO2S/c1-3-5-6-7-10-13-16-21-26(4-2)32-25-20-15-12-9-8-11-14-19-24-29-27(30)22-17-18-23-28(29)31/h26H,3-25H2,1-2H3