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

Systemtic Name: [(2R,3R)-4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl] benzenesulfonate Openeye Name: [(2R,3R)-4-oxo-2-phenyl-chroman-3-yl] benzenesulfonate CAS Name: benzenesulfonic 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] benzenesulfonate Traditional Name: benzenesulfonic acid [(2R,3R)-4-keto-2-phenyl-chroman-3-yl] ester Formula: C21H16O5S MolecularWeight: 380.41374

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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

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

InChI

InChI=1S/C21H16O5S/c22-19-17-13-7-8-14-18(17)25-20(15-9-3-1-4-10-15)21(19)26-27(23,24)16-11-5-2-6-12-16/h1-14,20-21H/t20-,21+/m1/s1