[(2R,3R)-7-methoxy-4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl] 4-nitrobenzenesulfonate

Systemtic Name: [(2R,3R)-7-methoxy-4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl] 4-nitrobenzenesulfonate Openeye Name: [(2R,3R)-7-methoxy-4-oxo-2-phenyl-chroman-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(2R,3R)-7-methoxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2R,3R)-7-methoxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(2R,3R)-4-keto-7-methoxy-2-phenyl-chroman-3-yl] ester Formula: C22H17NO8S MolecularWeight: 455.43728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C(C(O2)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)[C@@H]([C@H](O2)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17NO8S/c1-29-16-9-12-18-19(13-16)30-21(14-5-3-2-4-6-14)22(20(18)24)31-32(27,28)17-10-7-15(8-11-17)23(25)26/h2-13,21-22H,1H3/t21-,22+/m1/s1