1-[1,3-bis[(3-octylimidazol-1-ium-1-yl)methoxy]propan-2-yloxymethyl]-3-octyl-imidazol-1-ium

Systemtic Name: 1-[1,3-bis[(3-octylimidazol-1-ium-1-yl)methoxy]propan-2-yloxymethyl]-3-octyl-imidazol-1-ium Openeye Name: 1-[2,3-bis[(3-octylimidazol-1-ium-1-yl)methoxy]propoxymethyl]-3-octyl-imidazol-1-ium CAS Name: 1-[1,3-bis[(3-octyl-1-imidazol-1-iumyl)methoxy]propan-2-yloxymethyl]-3-octylimidazol-1-ium IUPAC Name: 1-[1,3-bis[(3-octylimidazol-1-ium-1-yl)methoxy]propan-2-yloxymethyl]-3-octylimidazol-1-ium Traditional Name: 1-[2,3-bis[(3-octylimidazol-1-ium-1-yl)methoxy]propoxymethyl]-3-octyl-imidazol-1-ium Formula: C39H71N6O3+3 MolecularWeight: 672.01944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C[N+](=C1)COCC(COC[N+]2=CN(C=C2)CCCCCCCC)OC[N+]3=CN(C=C3)CCCCCCCC

Isomeric SMILES

CCCCCCCCN1C=C[N+](=C1)COCC(COC[N+]2=CN(C=C2)CCCCCCCC)OC[N+]3=CN(C=C3)CCCCCCCC

InChI

InChI=1S/C39H71N6O3/c1-4-7-10-13-16-19-22-40-25-28-43(33-40)36-46-31-39(48-38-45-30-27-42(35-45)24-21-18-15-12-9-6-3)32-47-37-44-29-26-41(34-44)23-20-17-14-11-8-5-2/h25-30,33-35,39H,4-24,31-32,36-38H2,1-3H3/q+3