sodium 2-[(2-oxidanyl-3-phenoxy-propyl)amino]ethanesulfonate

Systemtic Name: sodium 2-[(2-oxidanyl-3-phenoxy-propyl)amino]ethanesulfonate Openeye Name: sodium 2-[(2-hydroxy-3-phenoxy-propyl)amino]ethanesulfonate CAS Name: sodium 2-[(2-hydroxy-3-phenoxypropyl)amino]ethanesulfonate IUPAC Name: sodium 2-[(2-hydroxy-3-phenoxypropyl)amino]ethanesulfonate Traditional Name: sodium 2-[(2-hydroxy-3-phenoxy-propyl)amino]ethanesulfonate Formula: C11H16NNaO5S MolecularWeight: 297.30321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO5S.Na/c13-10(8-12-6-7-18(14,15)16)9-17-11-4-2-1-3-5-11;/h1-5,10,12-13H,6-9H2,(H,14,15,16);/q;+1/p-1