(3-butan-2-ylphenyl) 4-methylbenzenesulfonate

Systemtic Name: (3-butan-2-ylphenyl) 4-methylbenzenesulfonate Openeye Name: (3-sec-butylphenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-butan-2-ylphenyl) ester IUPAC Name: (3-butan-2-ylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-sec-butylphenyl) ester Formula: C17H20O3S MolecularWeight: 304.4039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)C1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H20O3S/c1-4-14(3)15-6-5-7-16(12-15)20-21(18,19)17-10-8-13(2)9-11-17/h5-12,14H,4H2,1-3H3