(2-octoxyphenyl) 4-methylbenzenesulfonate

Systemtic Name: (2-octoxyphenyl) 4-methylbenzenesulfonate Openeye Name: (2-octoxyphenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-octoxyphenyl) ester IUPAC Name: (2-octoxyphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-octoxyphenyl) ester Formula: C21H28O4S MolecularWeight: 376.50962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H28O4S/c1-3-4-5-6-7-10-17-24-20-11-8-9-12-21(20)25-26(22,23)19-15-13-18(2)14-16-19/h8-9,11-16H,3-7,10,17H2,1-2H3