(4-hexoxyphenyl) 2,4,5-trimethylbenzenesulfonate

Systemtic Name: (4-hexoxyphenyl) 2,4,5-trimethylbenzenesulfonate Openeye Name: (4-hexoxyphenyl) 2,4,5-trimethylbenzenesulfonate CAS Name: 2,4,5-trimethylbenzenesulfonic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 2,4,5-trimethylbenzenesulfonate Traditional Name: 2,4,5-trimethylbenzenesulfonic acid (4-hexoxyphenyl) ester Formula: C21H28O4S MolecularWeight: 376.50962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C(C(=C2)C)C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C(C(=C2)C)C)C

InChI

InChI=1S/C21H28O4S/c1-5-6-7-8-13-24-19-9-11-20(12-10-19)25-26(22,23)21-15-17(3)16(2)14-18(21)4/h9-12,14-15H,5-8,13H2,1-4H3