[2-(4-bromophenyl)-3,3,5-trimethyl-6-oxidanylidene-2H-pyran-4-yl] 4-bromanylbenzenesulfonate

Systemtic Name: [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxidanylidene-2H-pyran-4-yl] 4-bromanylbenzenesulfonate Openeye Name: [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] ester IUPAC Name: [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-(4-bromophenyl)-6-keto-3,3,5-trimethyl-2H-pyran-4-yl] ester Formula: C20H18Br2O5S MolecularWeight: 530.22692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(OC1=O)C2=CC=C(C=C2)Br)(C)C)OS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(C(OC1=O)C2=CC=C(C=C2)Br)(C)C)OS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18Br2O5S/c1-12-17(27-28(24,25)16-10-8-15(22)9-11-16)20(2,3)18(26-19(12)23)13-4-6-14(21)7-5-13/h4-11,18H,1-3H3