sodium 2-acetyloxy-5-hexyl-benzenesulfonate

Systemtic Name: sodium 2-acetyloxy-5-hexyl-benzenesulfonate Openeye Name: sodium 2-acetoxy-5-hexyl-benzenesulfonate CAS Name: sodium 2-acetyloxy-5-hexylbenzenesulfonate IUPAC Name: sodium 2-acetyloxy-5-hexylbenzenesulfonate Traditional Name: sodium 2-acetoxy-5-hexyl-besylate Formula: C14H19NaO5S MolecularWeight: 322.35243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)OC(=O)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)OC(=O)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H20O5S.Na/c1-3-4-5-6-7-12-8-9-13(19-11(2)15)14(10-12)20(16,17)18;/h8-10H,3-7H2,1-2H3,(H,16,17,18);/q;+1/p-1