propan-2-yl 4-butan-2-ylbenzenesulfonate

Systemtic Name: propan-2-yl 4-butan-2-ylbenzenesulfonate Openeye Name: isopropyl 4-sec-butylbenzenesulfonate CAS Name: 4-butan-2-ylbenzenesulfonic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-butan-2-ylbenzenesulfonate Traditional Name: 4-sec-butylbenzenesulfonic acid isopropyl ester Formula: C13H20O3S MolecularWeight: 256.3611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3S/c1-5-11(4)12-6-8-13(9-7-12)17(14,15)16-10(2)3/h6-11H,5H2,1-4H3