2,2-dimethylpropyl 3-[2,5-bis(chloranyl)phenyl]carbonylbenzenesulfonate

Systemtic Name: 2,2-dimethylpropyl 3-[2,5-bis(chloranyl)phenyl]carbonylbenzenesulfonate Openeye Name: 2,2-dimethylpropyl 3-(2,5-dichlorobenzoyl)benzenesulfonate CAS Name: 3-[(2,5-dichlorophenyl)-oxomethyl]benzenesulfonic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 3-(2,5-dichlorobenzoyl)benzenesulfonate Traditional Name: 3-(2,5-dichlorobenzoyl)benzenesulfonic acid neopentyl ester Formula: C18H18Cl2O4S MolecularWeight: 401.30412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18Cl2O4S/c1-18(2,3)11-24-25(22,23)14-6-4-5-12(9-14)17(21)15-10-13(19)7-8-16(15)20/h4-10H,11H2,1-3H3