(2,6-dimethyl-3-phenyl-phenyl)methyl 4-bromanylbenzenesulfonate

Systemtic Name: (2,6-dimethyl-3-phenyl-phenyl)methyl 4-bromanylbenzenesulfonate Openeye Name: (2,6-dimethyl-3-phenyl-phenyl)methyl 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (2,6-dimethyl-3-phenylphenyl)methyl ester IUPAC Name: (2,6-dimethyl-3-phenylphenyl)methyl 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (2,6-dimethyl-3-phenyl-benzyl) ester Formula: C21H19BrO3S MolecularWeight: 431.34276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C2=CC=CC=C2)C)COS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=C(C=C1)C2=CC=CC=C2)C)COS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H19BrO3S/c1-15-8-13-20(17-6-4-3-5-7-17)16(2)21(15)14-25-26(23,24)19-11-9-18(22)10-12-19/h3-13H,14H2,1-2H3