(2-pentan-2-ylphenyl) benzenesulfonate

Systemtic Name: (2-pentan-2-ylphenyl) benzenesulfonate Openeye Name: [2-(1-methylbutyl)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid (2-pentan-2-ylphenyl) ester IUPAC Name: (2-pentan-2-ylphenyl) benzenesulfonate Traditional Name: benzenesulfonic acid [2-(1-methylbutyl)phenyl] ester Formula: C17H20O3S MolecularWeight: 304.4039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC(C)C1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20O3S/c1-3-9-14(2)16-12-7-8-13-17(16)20-21(18,19)15-10-5-4-6-11-15/h4-8,10-14H,3,9H2,1-2H3