[acetyloxy-[(2S,3R)-6-chloranyl-2-(3-nitrophenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl]thallanyl] ethanoate

Systemtic Name: [acetyloxy-[(2S,3R)-6-chloranyl-2-(3-nitrophenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl]thallanyl] ethanoate Openeye Name: [acetoxy-[(2S,3R)-6-chloro-2-(3-nitrophenyl)-4-oxo-chroman-3-yl]thallanyl] acetate CAS Name: acetic acid [acetyloxy-[(2S,3R)-6-chloro-2-(3-nitrophenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]thallanyl] ester IUPAC Name: [acetyloxy-[(2S,3R)-6-chloro-2-(3-nitrophenyl)-4-oxo-2,3-dihydrochromen-3-yl]thallanyl] acetate Traditional Name: acetic acid [acetoxy-[(2S,3R)-6-chloro-4-keto-2-(3-nitrophenyl)chroman-3-yl]thallanyl] ester Formula: C19H15ClNO8Tl MolecularWeight: 625.1606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O[Tl](C1C(OC2=C(C1=O)C=C(C=C2)Cl)C3=CC(=CC=C3)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(=O)O[Tl]([C@@H]1[C@@H](OC2=C(C1=O)C=C(C=C2)Cl)C3=CC(=CC=C3)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C15H9ClNO4.2C2H4O2.Tl/c16-10-4-5-14-12(7-10)13(18)8-15(21-14)9-2-1-3-11(6-9)17(19)20;2*1-2(3)4;/h1-8,15H;2*1H3,(H,3,4);/q;;;+2/p-2/t15-;;;/m1.../s1