2,2-dimethylpropyl 5-chloranyl-2-[4-chloranyl-2-(2,2-dimethylpropoxysulfonyl)phenyl]benzenesulfonate

Systemtic Name: 2,2-dimethylpropyl 5-chloranyl-2-[4-chloranyl-2-(2,2-dimethylpropoxysulfonyl)phenyl]benzenesulfonate Openeye Name: 2,2-dimethylpropyl 5-chloro-2-[4-chloro-2-(2,2-dimethylpropoxysulfonyl)phenyl]benzenesulfonate CAS Name: 5-chloro-2-[4-chloro-2-(2,2-dimethylpropoxysulfonyl)phenyl]benzenesulfonic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 5-chloro-2-[4-chloro-2-(2,2-dimethylpropoxysulfonyl)phenyl]benzenesulfonate Traditional Name: 5-chloro-2-(4-chloro-2-neopentyloxysulfonyl-phenyl)benzenesulfonic acid neopentyl ester Formula: C22H28Cl2O6S2 MolecularWeight: 523.49012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28Cl2O6S2/c1-21(2,3)13-29-31(25,26)19-11-15(23)7-9-17(19)18-10-8-16(24)12-20(18)32(27,28)30-14-22(4,5)6/h7-12H,13-14H2,1-6H3