[(4S)-2,2-dimethyl-4-oxidanyl-7-(phenylsulfonyloxy)-3,4-dihydrochromen-6-yl] benzenesulfonate

Systemtic Name: [(4S)-2,2-dimethyl-4-oxidanyl-7-(phenylsulfonyloxy)-3,4-dihydrochromen-6-yl] benzenesulfonate Openeye Name: [(4S)-7-(benzenesulfonyloxy)-4-hydroxy-2,2-dimethyl-chroman-6-yl] benzenesulfonate CAS Name: benzenesulfonic acid [(4S)-7-(benzenesulfonyloxy)-4-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [(4S)-7-(benzenesulfonyloxy)-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [(4S)-7-besyloxy-4-hydroxy-2,2-dimethyl-chroman-6-yl] ester Formula: C23H22O8S2 MolecularWeight: 490.54598

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC(=C(C=C2O1)OS(=O)(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4)O)C

Isomeric SMILES

CC1(C[C@@H](C2=CC(=C(C=C2O1)OS(=O)(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4)O)C

InChI

InChI=1S/C23H22O8S2/c1-23(2)15-19(24)18-13-21(30-32(25,26)16-9-5-3-6-10-16)22(14-20(18)29-23)31-33(27,28)17-11-7-4-8-12-17/h3-14,19,24H,15H2,1-2H3/t19-/m0/s1