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

Systemtic Name: [(2R,3R)-4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl] phenylmethanesulfonate Openeye Name: [(2R,3R)-4-oxo-2-phenyl-chroman-3-yl] phenylmethanesulfonate CAS Name: phenylmethanesulfonic 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] phenylmethanesulfonate Traditional Name: phenylmethanesulfonic acid [(2R,3R)-4-keto-2-phenyl-chroman-3-yl] ester Formula: C22H18O5S MolecularWeight: 394.44032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)OC2C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)O[C@@H]2[C@H](OC3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18O5S/c23-20-18-13-7-8-14-19(18)26-21(17-11-5-2-6-12-17)22(20)27-28(24,25)15-16-9-3-1-4-10-16/h1-14,21-22H,15H2/t21-,22+/m1/s1