(3,3,5-trimethyl-6-oxidanylidene-2-phenyl-2H-pyran-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (3,3,5-trimethyl-6-oxidanylidene-2-phenyl-2H-pyran-4-yl) 4-methylbenzenesulfonate Openeye Name: (3,3,5-trimethyl-6-oxo-2-phenyl-2H-pyran-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3,3,5-trimethyl-6-oxo-2-phenyl-2H-pyran-4-yl) ester IUPAC Name: (3,3,5-trimethyl-6-oxo-2-phenyl-2H-pyran-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-keto-3,3,5-trimethyl-2-phenyl-2H-pyran-4-yl) ester Formula: C21H22O5S MolecularWeight: 386.46138

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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=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22O5S/c1-14-10-12-17(13-11-14)27(23,24)26-18-15(2)20(22)25-19(21(18,3)4)16-8-6-5-7-9-16/h5-13,19H,1-4H3