sodium 3-(3-tert-butyl-2-oxidanyl-phenoxy)propane-1-sulfonate

Systemtic Name: sodium 3-(3-tert-butyl-2-oxidanyl-phenoxy)propane-1-sulfonate Openeye Name: sodium 3-(3-tert-butyl-2-hydroxy-phenoxy)propane-1-sulfonate CAS Name: sodium 3-(3-tert-butyl-2-hydroxyphenoxy)-1-propanesulfonate IUPAC Name: sodium 3-(3-tert-butyl-2-hydroxyphenoxy)propane-1-sulfonate Traditional Name: sodium 3-(3-tert-butyl-2-hydroxy-phenoxy)propane-1-sulfonate Formula: C13H19NaO5S MolecularWeight: 310.34173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O5S.Na/c1-13(2,3)10-6-4-7-11(12(10)14)18-8-5-9-19(15,16)17;/h4,6-7,14H,5,8-9H2,1-3H3,(H,15,16,17);/q;+1/p-1