[8-[dimethoxy-(triphenylmethyl)azaniumyl]-5-methyl-1-oxidanyl-1-oxidanylidene-dodecan-3-yl]-dimethoxy-(triphenylmethyl)azanium

Systemtic Name: [8-[dimethoxy-(triphenylmethyl)azaniumyl]-5-methyl-1-oxidanyl-1-oxidanylidene-dodecan-3-yl]-dimethoxy-(triphenylmethyl)azanium Openeye Name: [1-butyl-6-[dimethoxy(trityl)ammonio]-8-hydroxy-4-methyl-8-oxo-octyl]-dimethoxy-trityl-ammonium CAS Name: [8-[dimethoxy-(triphenylmethyl)ammonio]-1-hydroxy-5-methyl-1-oxododecan-3-yl]-dimethoxy-(triphenylmethyl)ammonium IUPAC Name: [8-[dimethoxy(trityl)azaniumyl]-1-hydroxy-5-methyl-1-oxododecan-3-yl]-dimethoxy-tritylazanium Traditional Name: [1-butyl-6-[dimethoxy(trityl)ammonio]-8-hydroxy-8-keto-4-methyl-octyl]-dimethoxy-trityl-ammonium Formula: C55H66N2O6+2 MolecularWeight: 851.12234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(C)CC(CC(=O)O)[N+](C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(OC)OC)[N+](C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(OC)OC

Isomeric SMILES

CCCCC(CCC(C)CC(CC(=O)O)[N+](C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(OC)OC)[N+](C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(OC)OC

InChI

InChI=1S/C55H65N2O6/c1-7-8-39-51(56(60-3,61-4)54(45-27-15-9-16-28-45,46-29-17-10-18-30-46)47-31-19-11-20-32-47)41-40-44(2)42-52(43-53(58)59)57(62-5,63-6)55(48-33-21-12-22-34-48,49-35-23-13-24-36-49)50-37-25-14-26-38-50/h9-38,44,51-52H,7-8,39-43H2,1-6H3/q+1/p+1