benzo[a]anthracen-1-yloxy-bis(oxidanidyl)borane; tetrahexadecylazanium

Systemtic Name: benzo[a]anthracen-1-yloxy-bis(oxidanidyl)borane; tetrahexadecylazanium Openeye Name: benzo[a]anthracen-1-yloxy(dioxido)borane; tetrahexadecylammonium CAS Name: 1-benzo[a]anthracenyloxy(dioxido)borane; tetrahexadecylammonium IUPAC Name: benzo[a]anthracen-1-yloxy(dioxido)borane; tetrahexadecylazanium Traditional Name: benz[a]anthracen-1-yloxy(dioxido)borane; tetracetylammonium Formula: C82H143BNO3- MolecularWeight: 1201.82872

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])OC1=CC=CC2=C1C3=CC4=CC=CC=C4C=C3C=C2.CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC

Isomeric SMILES

B([O-])([O-])OC1=CC=CC2=C1C3=CC4=CC=CC=C4C=C3C=C2.CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C64H132N.C18H11BO3/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65(62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;20-19(21)22-17-7-3-6-12-8-9-15-10-13-4-1-2-5-14(13)11-16(15)18(12)17/h5-64H2,1-4H3;1-11H/q+1;-2