(2-butan-2-ylphenyl) 4-bromanyl-2,5-dimethyl-benzenesulfonate

Systemtic Name: (2-butan-2-ylphenyl) 4-bromanyl-2,5-dimethyl-benzenesulfonate Openeye Name: (2-sec-butylphenyl) 4-bromo-2,5-dimethyl-benzenesulfonate CAS Name: 4-bromo-2,5-dimethylbenzenesulfonic acid (2-butan-2-ylphenyl) ester IUPAC Name: (2-butan-2-ylphenyl) 4-bromo-2,5-dimethylbenzenesulfonate Traditional Name: 4-bromo-2,5-dimethyl-benzenesulfonic acid (2-sec-butylphenyl) ester Formula: C18H21BrO3S MolecularWeight: 397.32654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OS(=O)(=O)C2=C(C=C(C(=C2)C)Br)C

Isomeric SMILES

CCC(C)C1=CC=CC=C1OS(=O)(=O)C2=C(C=C(C(=C2)C)Br)C

InChI

InChI=1S/C18H21BrO3S/c1-5-12(2)15-8-6-7-9-17(15)22-23(20,21)18-11-13(3)16(19)10-14(18)4/h6-12H,5H2,1-4H3