(4-tert-butyl-2-chloranyl-phenyl) benzenesulfonate

Systemtic Name: (4-tert-butyl-2-chloranyl-phenyl) benzenesulfonate Openeye Name: (4-tert-butyl-2-chloro-phenyl) benzenesulfonate CAS Name: benzenesulfonic acid (4-tert-butyl-2-chlorophenyl) ester IUPAC Name: (4-tert-butyl-2-chlorophenyl) benzenesulfonate Traditional Name: benzenesulfonic acid (4-tert-butyl-2-chloro-phenyl) ester Formula: C16H17ClO3S MolecularWeight: 324.82238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClO3S/c1-16(2,3)12-9-10-15(14(17)11-12)20-21(18,19)13-7-5-4-6-8-13/h4-11H,1-3H3