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

Systemtic Name: [(2R,3R)-4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl] 2-nitrobenzenesulfonate Openeye Name: [(2R,3R)-4-oxo-2-phenyl-chroman-3-yl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [(2R,3R)-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2R,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [(2R,3R)-4-keto-2-phenyl-chroman-3-yl] ester Formula: C21H15NO7S MolecularWeight: 425.4113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC=C3O2)OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=CC=CC=C3O2)OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H15NO7S/c23-19-15-10-4-6-12-17(15)28-20(14-8-2-1-3-9-14)21(19)29-30(26,27)18-13-7-5-11-16(18)22(24)25/h1-13,20-21H/t20-,21+/m1/s1