N-methyl-2-[[4-[2-[methyl-oxidanidyl-(trifluoromethyl)azaniumyl]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-N-(trifluoromethyl)ethanamine oxide

Systemtic Name: N-methyl-2-[[4-[2-[methyl-oxidanidyl-(trifluoromethyl)azaniumyl]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-N-(trifluoromethyl)ethanamine oxide Openeye Name: 2-[[5,8-dihydroxy-4-[2-[methyl-oxido-(trifluoromethyl)ammonio]ethylamino]-9,10-dioxo-1-anthryl]amino]-N-methyl-N-(trifluoromethyl)ethanamine oxide CAS Name: 2-[[5,8-dihydroxy-4-[2-[methyl-oxido-(trifluoromethyl)ammonio]ethylamino]-9,10-dioxo-1-anthracenyl]amino]-N-methyl-N-(trifluoromethyl)ethanamine oxide IUPAC Name: 2-[[5,8-dihydroxy-4-[2-[methyl-oxido-(trifluoromethyl)azaniumyl]ethylamino]-9,10-dioxoanthracen-1-yl]amino]-N-methyl-N-(trifluoromethyl)ethanamine oxide Traditional Name: 2-[[5,8-dihydroxy-9,10-diketo-4-[2-[methyl-oxido-(trifluoromethyl)ammonio]ethylamino]-1-anthryl]amino]-N-methyl-N-(trifluoromethyl)ethanamine oxide Formula: C22H22F6N4O6 MolecularWeight: 552.423699

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CCNC1=C2C(=C(C=C1)NCC[N+](C)(C(F)(F)F)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)O)(C(F)(F)F)[O-]

Isomeric SMILES

C[N+](CCNC1=C2C(=C(C=C1)NCC[N+](C)(C(F)(F)F)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)O)(C(F)(F)F)[O-]

InChI

InChI=1S/C22H22F6N4O6/c1-31(37,21(23,24)25)9-7-29-11-3-4-12(30-8-10-32(2,38)22(26,27)28)16-15(11)19(35)17-13(33)5-6-14(34)18(17)20(16)36/h3-6,29-30,33-34H,7-10H2,1-2H3