4,7-dioctadecyl-9-sulfanylidene-3,4,5,6,7,8-hexahydroazonine-2-thiolate

Systemtic Name: 4,7-dioctadecyl-9-sulfanylidene-3,4,5,6,7,8-hexahydroazonine-2-thiolate Openeye Name: 4,7-dioctadecyl-9-thioxo-3,4,5,6,7,8-hexahydroazonine-2-thiolate CAS Name: 4,7-dioctadecyl-9-sulfanylidene-3,4,5,6,7,8-hexahydroazonine-2-thiolate IUPAC Name: 4,7-dioctadecyl-9-sulfanylidene-3,4,5,6,7,8-hexahydroazonine-2-thiolate Traditional Name: 4,7-distearyl-9-thioxo-3,4,5,6,7,8-hexahydroazonine-2-thiolate Formula: C44H84NS2- MolecularWeight: 691.27446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1CCC(CC(=S)N=C(C1)[S-])CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1CCC(CC(=S)N=C(C1)[S-])CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H85NS2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-37-38-42(40-44(47)45-43(46)39-41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41-42H,3-40H2,1-2H3,(H,45,46,47)/p-1