sodium [[3-(2-methoxyphenoxy)-2-oxidanyl-propoxy]carbonylamino]methanesulfonic acid

Systemtic Name: sodium [[3-(2-methoxyphenoxy)-2-oxidanyl-propoxy]carbonylamino]methanesulfonic acid Openeye Name: sodium [[2-hydroxy-3-(2-methoxyphenoxy)propoxy]carbonylamino]methanesulfonic acid CAS Name: sodium [[[2-hydroxy-3-(2-methoxyphenoxy)propoxy]-oxomethyl]amino]methanesulfonic acid IUPAC Name: sodium [[2-hydroxy-3-(2-methoxyphenoxy)propoxy]carbonylamino]methanesulfonic acid Traditional Name: sodium [[2-hydroxy-3-(2-methoxyphenoxy)propoxy]carbonylamino]methanesulfonic acid Formula: C12H17NNaO8S+ MolecularWeight: 358.32005

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(COC(=O)NCS(=O)(=O)O)O.[Na+]

Isomeric SMILES

COC1=CC=CC=C1OCC(COC(=O)NCS(=O)(=O)O)O.[Na+]

InChI

InChI=1S/C12H17NO8S.Na/c1-19-10-4-2-3-5-11(10)20-6-9(14)7-21-12(15)13-8-22(16,17)18;/h2-5,9,14H,6-8H2,1H3,(H,13,15)(H,16,17,18);/q;+1