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

Systemtic Name: [(2R,3R)-4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl] 4-bromanylbenzenesulfonate Openeye Name: [(2R,3R)-4-oxo-2-phenyl-chroman-3-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic 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] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [(2R,3R)-4-keto-2-phenyl-chroman-3-yl] ester Formula: C21H15BrO5S MolecularWeight: 459.3098

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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)Br

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)Br

InChI

InChI=1S/C21H15BrO5S/c22-15-10-12-16(13-11-15)28(24,25)27-21-19(23)17-8-4-5-9-18(17)26-20(21)14-6-2-1-3-7-14/h1-13,20-21H/t20-,21+/m1/s1