sodium (4-methylphenoxy)methanesulfonate

Systemtic Name: sodium (4-methylphenoxy)methanesulfonate Openeye Name: sodium (4-methylphenoxy)methanesulfonate CAS Name: sodium (4-methylphenoxy)methanesulfonate IUPAC Name: sodium (4-methylphenoxy)methanesulfonate Traditional Name: sodium (4-methylphenoxy)methanesulfonate Formula: C8H9NaO4S MolecularWeight: 224.20943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)OCS(=O)(=O)[O-].[Na+]

InChI

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