1-(2-decan-2-ylsulfanylethyl)azepane-2,7-dione

Systemtic Name: 1-(2-decan-2-ylsulfanylethyl)azepane-2,7-dione Openeye Name: 1-[2-(1-methylnonylsulfanyl)ethyl]azepane-2,7-dione CAS Name: 1-[2-(decan-2-ylthio)ethyl]azepane-2,7-dione IUPAC Name: 1-(2-decan-2-ylsulfanylethyl)azepane-2,7-dione Traditional Name: 1-[2-(1-methylnonylthio)ethyl]azepane-2,7-quinone Formula: C18H33NO2S MolecularWeight: 327.52512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)SCCN1C(=O)CCCCC1=O

Isomeric SMILES

CCCCCCCCC(C)SCCN1C(=O)CCCCC1=O

InChI

InChI=1S/C18H33NO2S/c1-3-4-5-6-7-8-11-16(2)22-15-14-19-17(20)12-9-10-13-18(19)21/h16H,3-15H2,1-2H3