sodium (2-methylphenoxy)methanesulfonate

Systemtic Name: sodium (2-methylphenoxy)methanesulfonate Openeye Name: sodium (2-methylphenoxy)methanesulfonate CAS Name: sodium (2-methylphenoxy)methanesulfonate IUPAC Name: sodium (2-methylphenoxy)methanesulfonate Traditional Name: sodium (2-methylphenoxy)methanesulfonate Formula: C8H9NaO4S MolecularWeight: 224.20943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=CC=C1OCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H10O4S.Na/c1-7-4-2-3-5-8(7)12-6-13(9,10)11;/h2-5H,6H2,1H3,(H,9,10,11);/q;+1/p-1