sodium 2-oxidanyl-6-pentadecyl-benzenesulfonate

Systemtic Name: sodium 2-oxidanyl-6-pentadecyl-benzenesulfonate Openeye Name: sodium 2-hydroxy-6-pentadecyl-benzenesulfonate CAS Name: sodium 2-hydroxy-6-pentadecylbenzenesulfonate IUPAC Name: sodium 2-hydroxy-6-pentadecylbenzenesulfonate Traditional Name: sodium 2-hydroxy-6-pentadecyl-besylate Formula: C21H35NaO4S MolecularWeight: 406.55497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)26(23,24)25;/h15,17-18,22H,2-14,16H2,1H3,(H,23,24,25);/q;+1/p-1