(2,2,5-trimethyl-4-oxidanylidene-3H-chromen-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (2,2,5-trimethyl-4-oxidanylidene-3H-chromen-7-yl) 4-methylbenzenesulfonate Openeye Name: (2,2,5-trimethyl-4-oxo-chroman-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,2,5-trimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl) ester IUPAC Name: (2,2,5-trimethyl-4-oxo-3H-chromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-keto-2,2,5-trimethyl-chroman-7-yl) ester Formula: C19H20O5S MolecularWeight: 360.4241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C(=C2)C)C(=O)CC(O3)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C(=C2)C)C(=O)CC(O3)(C)C

InChI

InChI=1S/C19H20O5S/c1-12-5-7-15(8-6-12)25(21,22)24-14-9-13(2)18-16(20)11-19(3,4)23-17(18)10-14/h5-10H,11H2,1-4H3