4,6-dioctadecyl-8-sulfanylidene-4,5,6,7-tetrahydro-3H-azocine-2-thiolate

Systemtic Name: 4,6-dioctadecyl-8-sulfanylidene-4,5,6,7-tetrahydro-3H-azocine-2-thiolate Openeye Name: 4,6-dioctadecyl-8-thioxo-4,5,6,7-tetrahydro-3H-azocine-2-thiolate CAS Name: 4,6-dioctadecyl-8-sulfanylidene-4,5,6,7-tetrahydro-3H-azocine-2-thiolate IUPAC Name: 4,6-dioctadecyl-8-sulfanylidene-4,5,6,7-tetrahydro-3H-azocine-2-thiolate Traditional Name: 4,6-distearyl-8-thioxo-4,5,6,7-tetrahydro-3H-azocine-2-thiolate Formula: C43H82NS2- MolecularWeight: 677.24788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1CC(CC(=S)N=C(C1)[S-])CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1CC(CC(=S)N=C(C1)[S-])CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C43H83NS2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-37-41(39-43(46)44-42(45)38-40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40-41H,3-39H2,1-2H3,(H,44,45,46)/p-1