phenyl butane-1-sulfonate

Systemtic Name: phenyl butane-1-sulfonate Openeye Name: phenyl butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: phenyl butane-1-sulfonate Traditional Name: butane-1-sulfonic acid phenyl ester Formula: C10H14O3S MolecularWeight: 214.28136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=CC=C1

InChI

InChI=1S/C10H14O3S/c1-2-3-9-14(11,12)13-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3