hexyl benzenesulfonate

Systemtic Name: hexyl benzenesulfonate Openeye Name: hexyl benzenesulfonate CAS Name: benzenesulfonic acid hexyl ester IUPAC Name: hexyl benzenesulfonate Traditional Name: benzenesulfonic acid hexyl ester Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCOS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H18O3S/c1-2-3-4-8-11-15-16(13,14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3