sodium 3-oxidanyl-4-pentyl-benzenesulfonate

Systemtic Name: sodium 3-oxidanyl-4-pentyl-benzenesulfonate Openeye Name: sodium 3-hydroxy-4-pentyl-benzenesulfonate CAS Name: sodium 3-hydroxy-4-pentylbenzenesulfonate IUPAC Name: sodium 3-hydroxy-4-pentylbenzenesulfonate Traditional Name: sodium 4-amyl-3-hydroxy-besylate Formula: C11H15NaO4S MolecularWeight: 266.28917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C11H16O4S.Na/c1-2-3-4-5-9-6-7-10(8-11(9)12)16(13,14)15;/h6-8,12H,2-5H2,1H3,(H,13,14,15);/q;+1/p-1