2,2-dimethylpropyl 4-[4-(2,2-dimethylpropoxysulfonyl)phenyl]benzenesulfonate

Systemtic Name: 2,2-dimethylpropyl 4-[4-(2,2-dimethylpropoxysulfonyl)phenyl]benzenesulfonate Openeye Name: 2,2-dimethylpropyl 4-[4-(2,2-dimethylpropoxysulfonyl)phenyl]benzenesulfonate CAS Name: 4-[4-(2,2-dimethylpropoxysulfonyl)phenyl]benzenesulfonic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 4-[4-(2,2-dimethylpropoxysulfonyl)phenyl]benzenesulfonate Traditional Name: 4-(4-neopentyloxysulfonylphenyl)benzenesulfonic acid neopentyl ester Formula: C22H30O6S2 MolecularWeight: 454.6

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)OCC(C)(C)C

Isomeric SMILES

CC(C)(C)COS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)OCC(C)(C)C

InChI

InChI=1S/C22H30O6S2/c1-21(2,3)15-27-29(23,24)19-11-7-17(8-12-19)18-9-13-20(14-10-18)30(25,26)28-16-22(4,5)6/h7-14H,15-16H2,1-6H3