sodium 2-tert-butyl-3,6-bis(oxidanyl)benzenesulfonate

Systemtic Name: sodium 2-tert-butyl-3,6-bis(oxidanyl)benzenesulfonate Openeye Name: sodium 2-tert-butyl-3,6-dihydroxy-benzenesulfonate CAS Name: sodium 2-tert-butyl-3,6-dihydroxybenzenesulfonate IUPAC Name: sodium 2-tert-butyl-3,6-dihydroxybenzenesulfonate Traditional Name: sodium 2-tert-butyl-3,6-dihydroxy-besylate Formula: C10H13NaO5S MolecularWeight: 268.26199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1S(=O)(=O)[O-])O)O.[Na+]

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1S(=O)(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C10H14O5S.Na/c1-10(2,3)8-6(11)4-5-7(12)9(8)16(13,14)15;/h4-5,11-12H,1-3H3,(H,13,14,15);/q;+1/p-1