1-bromanyl-4-ethylsulfonyl-benzene; 1,3-ditert-butyl-5-[2-(4-ethylsulfonylphenyl)ethynyl]benzene

Systemtic Name: 1-bromanyl-4-ethylsulfonyl-benzene; 1,3-ditert-butyl-5-[2-(4-ethylsulfonylphenyl)ethynyl]benzene Openeye Name: 1-bromo-4-ethylsulfonyl-benzene; 1,3-ditert-butyl-5-[2-(4-ethylsulfonylphenyl)ethynyl]benzene CAS Name: 1-bromo-4-ethylsulfonylbenzene; 1,3-ditert-butyl-5-[2-(4-ethylsulfonylphenyl)ethynyl]benzene IUPAC Name: 1-bromo-4-ethylsulfonylbenzene; 1,3-ditert-butyl-5-[2-(4-ethylsulfonylphenyl)ethynyl]benzene Traditional Name: 1-bromo-4-esyl-benzene; 1,3-ditert-butyl-5-[2-(4-esylphenyl)ethynyl]benzene Formula: C32H39BrO4S2 MolecularWeight: 631.68366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)C#CC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C.CCS(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C#CC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C.CCS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C24H30O2S.C8H9BrO2S/c1-8-27(25,26)22-13-11-18(12-14-22)9-10-19-15-20(23(2,3)4)17-21(16-19)24(5,6)7;1-2-12(10,11)8-5-3-7(9)4-6-8/h11-17H,8H2,1-7H3;3-6H,2H2,1H3