(1R,2R,3R,4S)-1,3-diacetyloxy-11-diazonio-2-methyl-2,4,10-tris(oxidanyl)-9-oxidanylidene-3,4-dihydro-1H-benzo[b]fluoren-5-olate

Systemtic Name: (1R,2R,3R,4S)-1,3-diacetyloxy-11-diazonio-2-methyl-2,4,10-tris(oxidanyl)-9-oxidanylidene-3,4-dihydro-1H-benzo[b]fluoren-5-olate Openeye Name: (1R,2R,3R,4S)-1,3-diacetoxy-11-diazonio-2,4,10-trihydroxy-2-methyl-9-oxo-3,4-dihydro-1H-benzo[b]fluoren-5-olate CAS Name: (1R,2R,3R,4S)-1,3-diacetyloxy-11-diazonio-2,4,10-trihydroxy-2-methyl-9-oxo-3,4-dihydro-1H-benzo[b]fluoren-5-olate IUPAC Name: (1R,2R,3R,4S)-1,3-diacetyloxy-11-diazonio-2,4,10-trihydroxy-2-methyl-9-oxo-3,4-dihydro-1H-benzo[b]fluoren-5-olate Traditional Name: (1R,2R,3R,4S)-1,3-diacetoxy-11-diazonio-2,4,10-trihydroxy-9-keto-2-methyl-3,4-dihydro-1H-benzo[b]fluoren-5-olate Formula: C22H18N2O9 MolecularWeight: 454.38632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=C(C(C1(C)O)OC(=O)C)C(=C3C2=C(C4=CC=CC(=O)C4=C3O)[O-])[N+]#N)O

Isomeric SMILES

CC(=O)O[C@@H]1[C@H](C2=C([C@H]([C@@]1(C)O)OC(=O)C)C(=C3C2=C(C4=CC=CC(=O)C4=C3O)[O-])[N+]#N)O

InChI

InChI=1S/C22H18N2O9/c1-7(25)32-20-15-13(19(30)21(22(20,3)31)33-8(2)26)12-14(16(15)24-23)18(29)11-9(17(12)28)5-4-6-10(11)27/h4-6,19-21,30-31H,1-3H3,(H-,27,28,29)/t19-,20+,21+,22+/m0/s1