(2,3,6-trimethylphenyl) 4-methylbenzenesulfonate

Systemtic Name: (2,3,6-trimethylphenyl) 4-methylbenzenesulfonate Openeye Name: (2,3,6-trimethylphenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,3,6-trimethylphenyl) ester Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2C)C)C

InChI

InChI=1S/C16H18O3S/c1-11-5-9-15(10-6-11)20(17,18)19-16-13(3)8-7-12(2)14(16)4/h5-10H,1-4H3