sodium N-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]sulfamate

Systemtic Name: sodium N-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]sulfamate Openeye Name: sodium N-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]sulfamate CAS Name: sodium N-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]sulfamate IUPAC Name: sodium N-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]sulfamate Traditional Name: sodium N-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]sulfamate Formula: C13H20NNaO5S MolecularWeight: 325.35637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO5S.Na/c1-13(2,3)10-4-6-12(7-5-10)19-9-11(15)8-14-20(16,17)18;/h4-7,11,14-15H,8-9H2,1-3H3,(H,16,17,18);/q;+1/p-1