sodium 2-acetyloxy-5-dodecyl-benzenesulfonate

Systemtic Name: sodium 2-acetyloxy-5-dodecyl-benzenesulfonate Openeye Name: sodium 2-acetoxy-5-dodecyl-benzenesulfonate CAS Name: sodium 2-acetyloxy-5-dodecylbenzenesulfonate IUPAC Name: sodium 2-acetyloxy-5-dodecylbenzenesulfonate Traditional Name: sodium 2-acetoxy-5-lauryl-besylate Formula: C20H31NaO5S MolecularWeight: 406.51191

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C=C1)OC(=O)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1)OC(=O)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H32O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-19(25-17(2)21)20(16-18)26(22,23)24;/h14-16H,3-13H2,1-2H3,(H,22,23,24);/q;+1/p-1