(5-methyl-2-propan-2-yl-phenyl) 4-bromanylbenzenesulfonate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 4-bromanylbenzenesulfonate Openeye Name: (2-isopropyl-5-methyl-phenyl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C16H17BrO3S MolecularWeight: 369.27338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H17BrO3S/c1-11(2)15-9-4-12(3)10-16(15)20-21(18,19)14-7-5-13(17)6-8-14/h4-11H,1-3H3