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

Systemtic Name: [(2S,3S)-4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl] 4-nitrobenzenesulfonate Openeye Name: [(2S,3S)-4-oxo-2-phenyl-chroman-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(2S,3S)-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2S,3S)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(2S,3S)-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=C(C=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=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15NO7S/c23-19-17-8-4-5-9-18(17)28-20(14-6-2-1-3-7-14)21(19)29-30(26,27)16-12-10-15(11-13-16)22(24)25/h1-13,20-21H/t20-,21+/m0/s1