4-[5-(4-tert-butylphenyl)hexan-3-yl]benzenesulfonate

Systemtic Name: 4-[5-(4-tert-butylphenyl)hexan-3-yl]benzenesulfonate Openeye Name: 4-[3-(4-tert-butylphenyl)-1-ethyl-butyl]benzenesulfonate CAS Name: 4-[5-(4-tert-butylphenyl)hexan-3-yl]benzenesulfonate IUPAC Name: 4-[5-(4-tert-butylphenyl)hexan-3-yl]benzenesulfonate Traditional Name: 4-[3-(4-tert-butylphenyl)-1-ethyl-butyl]besylate Formula: C22H29O3S- MolecularWeight: 373.52886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C1=CC=C(C=C1)C(C)(C)C)C2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

CCC(CC(C)C1=CC=C(C=C1)C(C)(C)C)C2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C22H30O3S/c1-6-17(19-9-13-21(14-10-19)26(23,24)25)15-16(2)18-7-11-20(12-8-18)22(3,4)5/h7-14,16-17H,6,15H2,1-5H3,(H,23,24,25)/p-1