[2,2-dimethyl-4-oxidanylidene-5-(phenylsulfonyloxy)-3H-chromen-7-yl] benzenesulfonate

Systemtic Name: [2,2-dimethyl-4-oxidanylidene-5-(phenylsulfonyloxy)-3H-chromen-7-yl] benzenesulfonate Openeye Name: [5-(benzenesulfonyloxy)-2,2-dimethyl-4-oxo-chroman-7-yl] benzenesulfonate CAS Name: benzenesulfonic acid [5-(benzenesulfonyloxy)-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl] ester IUPAC Name: [5-(benzenesulfonyloxy)-2,2-dimethyl-4-oxo-3H-chromen-7-yl] benzenesulfonate Traditional Name: benzenesulfonic acid (5-besyloxy-4-keto-2,2-dimethyl-chroman-7-yl) ester Formula: C23H20O8S2 MolecularWeight: 488.5301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20O8S2/c1-23(2)15-19(24)22-20(29-23)13-16(30-32(25,26)17-9-5-3-6-10-17)14-21(22)31-33(27,28)18-11-7-4-8-12-18/h3-14H,15H2,1-2H3