[(2R,3R)-2-(4-chlorophenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl] 4-nitrobenzenesulfonate

Systemtic Name: [(2R,3R)-2-(4-chlorophenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl] 4-nitrobenzenesulfonate Openeye Name: [(2R,3R)-2-(4-chlorophenyl)-4-oxo-chroman-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(2R,3R)-2-(4-chlorophenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2R,3R)-2-(4-chlorophenyl)-4-oxo-2,3-dihydrochromen-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(2R,3R)-2-(4-chlorophenyl)-4-keto-chroman-3-yl] ester Formula: C21H14ClNO7S MolecularWeight: 459.85636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C(O2)C3=CC=C(C=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)[C@@H]([C@H](O2)C3=CC=C(C=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClNO7S/c22-14-7-5-13(6-8-14)20-21(19(24)17-3-1-2-4-18(17)29-20)30-31(27,28)16-11-9-15(10-12-16)23(25)26/h1-12,20-21H/t20-,21+/m1/s1