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

Systemtic Name: [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxidanylidene-2H-pyran-4-yl] 4-methylbenzenesulfonate Openeye Name: [2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-bromophenyl)-6-keto-3,3,5-trimethyl-2H-pyran-4-yl] ester Formula: C21H21BrO5S MolecularWeight: 465.35744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC(C2(C)C)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC(C2(C)C)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H21BrO5S/c1-13-5-11-17(12-6-13)28(24,25)27-18-14(2)20(23)26-19(21(18,3)4)15-7-9-16(22)10-8-15/h5-12,19H,1-4H3