(4-tert-butylphenyl) 2-dodecylbenzenesulfonate

Systemtic Name: (4-tert-butylphenyl) 2-dodecylbenzenesulfonate Openeye Name: (4-tert-butylphenyl) 2-dodecylbenzenesulfonate CAS Name: 2-dodecylbenzenesulfonic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 2-dodecylbenzenesulfonate Traditional Name: 2-laurylbenzenesulfonic acid (4-tert-butylphenyl) ester Formula: C28H42O3S MolecularWeight: 458.69628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)OC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)OC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C28H42O3S/c1-5-6-7-8-9-10-11-12-13-14-17-24-18-15-16-19-27(24)32(29,30)31-26-22-20-25(21-23-26)28(2,3)4/h15-16,18-23H,5-14,17H2,1-4H3