4-hexylbenzenesulfonate

Systemtic Name: 4-hexylbenzenesulfonate Openeye Name: 4-hexylbenzenesulfonate CAS Name: 4-hexylbenzenesulfonate IUPAC Name: 4-hexylbenzenesulfonate Traditional Name: 4-hexylbesylate Formula: C12H17O3S- MolecularWeight: 241.32658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H18O3S/c1-2-3-4-5-6-11-7-9-12(10-8-11)16(13,14)15/h7-10H,2-6H2,1H3,(H,13,14,15)/p-1