(1-chloranyl-3-methyl-3-phenyl-butan-2-yl) 4-butan-2-ylbenzenesulfonate

Systemtic Name: (1-chloranyl-3-methyl-3-phenyl-butan-2-yl) 4-butan-2-ylbenzenesulfonate Openeye Name: [1-(chloromethyl)-2-methyl-2-phenyl-propyl] 4-sec-butylbenzenesulfonate CAS Name: 4-butan-2-ylbenzenesulfonic acid (1-chloro-3-methyl-3-phenylbutan-2-yl) ester IUPAC Name: (1-chloro-3-methyl-3-phenylbutan-2-yl) 4-butan-2-ylbenzenesulfonate Traditional Name: 4-sec-butylbenzenesulfonic acid [1-(chloromethyl)-2-methyl-2-phenyl-propyl] ester Formula: C21H27ClO3S MolecularWeight: 394.95528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC(CCl)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC(CCl)C(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C21H27ClO3S/c1-5-16(2)17-11-13-19(14-12-17)26(23,24)25-20(15-22)21(3,4)18-9-7-6-8-10-18/h6-14,16,20H,5,15H2,1-4H3