(3-octylsulfonyloxyphenyl) octane-1-sulfonate

Systemtic Name: (3-octylsulfonyloxyphenyl) octane-1-sulfonate Openeye Name: (3-octylsulfonyloxyphenyl) octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: (3-octylsulfonyloxyphenyl) octane-1-sulfonate Traditional Name: octane-1-sulfonic acid (3-octylsulfonyloxyphenyl) ester Formula: C22H38O6S2 MolecularWeight: 462.66352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC1=CC(=CC=C1)OS(=O)(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC1=CC(=CC=C1)OS(=O)(=O)CCCCCCCC

InChI

InChI=1S/C22H38O6S2/c1-3-5-7-9-11-13-18-29(23,24)27-21-16-15-17-22(20-21)28-30(25,26)19-14-12-10-8-6-4-2/h15-17,20H,3-14,18-19H2,1-2H3