bis[(6E,9E,27E)-hexatriaconta-6,9,27-trien-18-yl]-dimethyl-azanium

Systemtic Name: bis[(6E,9E,27E)-hexatriaconta-6,9,27-trien-18-yl]-dimethyl-azanium Openeye Name: bis[(E)-1-[(8E,11E)-heptadeca-8,11-dienyl]nonadec-10-enyl]-dimethyl-ammonium CAS Name: bis[(6E,9E,27E)-hexatriaconta-6,9,27-trien-18-yl]-dimethylammonium IUPAC Name: bis[(6E,9E,27E)-hexatriaconta-6,9,27-trien-18-yl]-dimethylazanium Traditional Name: dimethyl-bis[(9E,12E)-1-[(E)-octadec-9-enyl]octadeca-9,12-dienyl]ammonium Formula: C74H140N+ MolecularWeight: 1043.9101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CCCCCCCC=CCC=CCCCCC)[N+](C)(C)C(CCCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC([N+](C(CCCCCCC/C=C/C/C=C/CCCCC)CCCCCCCC/C=C/CCCCCCCC)(C)C)CCCCCCC/C=C/C/C=C/CCCCC

InChI

InChI=1S/C74H140N/c1-7-11-15-19-23-27-31-35-39-43-47-51-55-59-63-67-71-73(69-65-61-57-53-49-45-41-37-33-29-25-21-17-13-9-3)75(5,6)74(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-4)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-2/h25-26,29-30,35-42,73-74H,7-24,27-28,31-34,43-72H2,1-6H3/q+1/b29-25+,30-26+,39-35+,40-36+,41-37+,42-38+