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

Systemtic Name: (1R,2S,3R,4S)-3-acetyloxy-11-diazonio-2-methyl-2,4,10-tris(oxidanyl)-9-oxidanylidene-1-propanoyloxy-3,4-dihydro-1H-benzo[b]fluoren-5-olate Openeye Name: (1R,2S,3R,4S)-3-acetoxy-11-diazonio-2,4,10-trihydroxy-2-methyl-9-oxo-1-propanoyloxy-3,4-dihydro-1H-benzo[b]fluoren-5-olate CAS Name: (1R,2S,3R,4S)-3-acetyloxy-11-diazonio-2,4,10-trihydroxy-2-methyl-9-oxo-1-(1-oxopropoxy)-3,4-dihydro-1H-benzo[b]fluoren-5-olate IUPAC Name: (1R,2S,3R,4S)-3-acetyloxy-11-diazonio-2,4,10-trihydroxy-2-methyl-9-oxo-1-propanoyloxy-3,4-dihydro-1H-benzo[b]fluoren-5-olate Traditional Name: (1R,2S,3R,4S)-3-acetoxy-11-diazonio-2,4,10-trihydroxy-9-keto-2-methyl-1-propionyloxy-3,4-dihydro-1H-benzo[b]fluoren-5-olate Formula: C23H20N2O9 MolecularWeight: 468.4129

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1C2=C(C(C(C1(C)O)OC(=O)C)O)C3=C(C4=CC=CC(=O)C4=C(C3=C2[N+]#N)O)[O-]

Isomeric SMILES

CCC(=O)O[C@@H]1C2=C([C@@H]([C@H]([C@@]1(C)O)OC(=O)C)O)C3=C(C4=CC=CC(=O)C4=C(C3=C2[N+]#N)O)[O-]

InChI

InChI=1S/C23H20N2O9/c1-4-11(28)34-21-16-14(20(31)22(23(21,3)32)33-8(2)26)13-15(17(16)25-24)19(30)12-9(18(13)29)6-5-7-10(12)27/h5-7,20-22,31-32H,4H2,1-3H3,(H-,27,29,30)/t20-,21+,22+,23-/m0/s1