sodium N-[3-(4-chloranyl-3,5-dimethyl-phenoxy)-2-oxidanyl-propyl]-N-ethyl-sulfamate

Systemtic Name: sodium N-[3-(4-chloranyl-3,5-dimethyl-phenoxy)-2-oxidanyl-propyl]-N-ethyl-sulfamate Openeye Name: sodium N-[3-(4-chloro-3,5-dimethyl-phenoxy)-2-hydroxy-propyl]-N-ethyl-sulfamate CAS Name: sodium N-[3-(4-chloro-3,5-dimethylphenoxy)-2-hydroxypropyl]-N-ethylsulfamate IUPAC Name: sodium N-[3-(4-chloro-3,5-dimethylphenoxy)-2-hydroxypropyl]-N-ethylsulfamate Traditional Name: sodium N-[3-(4-chloro-3,5-dimethyl-phenoxy)-2-hydroxy-propyl]-N-ethyl-sulfamate Formula: C13H19ClNNaO5S MolecularWeight: 359.80143

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(COC1=CC(=C(C(=C1)C)Cl)C)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCN(CC(COC1=CC(=C(C(=C1)C)Cl)C)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H20ClNO5S.Na/c1-4-15(21(17,18)19)7-11(16)8-20-12-5-9(2)13(14)10(3)6-12;/h5-6,11,16H,4,7-8H2,1-3H3,(H,17,18,19);/q;+1/p-1