[9,10-bis(oxidanylidene)anthracen-2-yl]methyl-[2,3-di(hexadecanoyloxy)propyl]-dimethyl-azanium bromide

Systemtic Name: [9,10-bis(oxidanylidene)anthracen-2-yl]methyl-[2,3-di(hexadecanoyloxy)propyl]-dimethyl-azanium bromide Openeye Name: 2,3-di(hexadecanoyloxy)propyl-[(9,10-dioxo-2-anthryl)methyl]-dimethyl-ammonium bromide CAS Name: 2,3-bis(1-oxohexadecoxy)propyl-[(9,10-dioxo-2-anthracenyl)methyl]-dimethylammonium bromide IUPAC Name: 2,3-di(hexadecanoyloxy)propyl-[(9,10-dioxoanthracen-2-yl)methyl]-dimethylazanium bromide Traditional Name: 2,3-di(hexadecanoyloxy)propyl-[(9,10-diketo-2-anthryl)methyl]-dimethyl-ammonium bromide Formula: C52H82BrNO6 MolecularWeight: 897.11458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC(=O)CCCCCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC(=O)CCCCCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C52H82NO6.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35-49(54)58-42-44(59-50(55)36-30-28-26-24-22-20-18-16-14-12-10-8-6-2)41-53(3,4)40-43-37-38-47-48(39-43)52(57)46-34-32-31-33-45(46)51(47)56;/h31-34,37-39,44H,5-30,35-36,40-42H2,1-4H3;1H/q+1;/p-1