sodium 3,5-diethyl-4-oxidanyl-benzenesulfonate

Systemtic Name: sodium 3,5-diethyl-4-oxidanyl-benzenesulfonate Openeye Name: sodium 3,5-diethyl-4-hydroxy-benzenesulfonate CAS Name: sodium 3,5-diethyl-4-hydroxybenzenesulfonate IUPAC Name: sodium 3,5-diethyl-4-hydroxybenzenesulfonate Traditional Name: sodium 3,5-diethyl-4-hydroxy-besylate Formula: C10H13NaO4S MolecularWeight: 252.26259

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1O)CC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC1=CC(=CC(=C1O)CC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H14O4S.Na/c1-3-7-5-9(15(12,13)14)6-8(4-2)10(7)11;/h5-6,11H,3-4H2,1-2H3,(H,12,13,14);/q;+1/p-1