(3aS,6aR)-5-[4-[[4-[(3aR,6aS)-3-(2-nitrophenyl)-4,6-bis(oxidanylidene)-2-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-2-ium-5-yl]phenyl]methyl]phenyl]-3-(2-nitrophenyl)-2-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-2-ium-4,6-dione

Systemtic Name: (3aS,6aR)-5-[4-[[4-[(3aR,6aS)-3-(2-nitrophenyl)-4,6-bis(oxidanylidene)-2-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-2-ium-5-yl]phenyl]methyl]phenyl]-3-(2-nitrophenyl)-2-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-2-ium-4,6-dione Openeye Name: (3aS,6aR)-5-[4-[[4-[(3aR,6aS)-3-(2-nitrophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydropyrrolo[3,4-d]isoxazol-2-ium-5-yl]phenyl]methyl]phenyl]-3-(2-nitrophenyl)-2-phenyl-3a,6a-dihydropyrrolo[3,4-d]isoxazol-2-ium-4,6-dione CAS Name: (3aS,6aR)-5-[4-[[4-[(3aR,6aS)-3-(2-nitrophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydropyrrolo[3,4-d]isoxazol-2-ium-5-yl]phenyl]methyl]phenyl]-3-(2-nitrophenyl)-2-phenyl-3a,6a-dihydropyrrolo[3,4-d]isoxazol-2-ium-4,6-dione IUPAC Name: (3aS,6aR)-5-[4-[[4-[(3aR,6aS)-3-(2-nitrophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-2-ium-5-yl]phenyl]methyl]phenyl]-3-(2-nitrophenyl)-2-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-2-ium-4,6-dione Traditional Name: (3aS,6aR)-5-[4-[4-[(3aR,6aS)-4,6-diketo-3-(2-nitrophenyl)-2-phenyl-3a,6a-dihydropyrrol[3,4-d]isoxazol-2-ium-5-yl]benzyl]phenyl]-3-(2-nitrophenyl)-2-phenyl-3a,6a-dihydropyrrol[3,4-d]isoxazol-2-ium-4,6-quinone Formula: C47H32N6O10+2 MolecularWeight: 840.79118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)O[N+](=C7C8=CC=CC=C8[N+](=O)[O-])C9=CC=CC=C9)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)[C@H]7[C@@H](C6=O)O[N+](=C7C8=CC=CC=C8[N+](=O)[O-])C9=CC=CC=C9)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C47H32N6O10/c54-44-38-40(34-15-7-9-17-36(34)52(58)59)50(32-11-3-1-4-12-32)62-42(38)46(56)48(44)30-23-19-28(20-24-30)27-29-21-25-31(26-22-29)49-45(55)39-41(35-16-8-10-18-37(35)53(60)61)51(63-43(39)47(49)57)33-13-5-2-6-14-33/h1-26,38-39,42-43H,27H2/q+2/t38-,39+,42+,43-