sodium (3-methylphenyl)-oxidanyl-methanesulfonate

Systemtic Name: sodium (3-methylphenyl)-oxidanyl-methanesulfonate Openeye Name: sodium hydroxy(m-tolyl)methanesulfonate CAS Name: sodium hydroxy-(3-methylphenyl)methanesulfonate IUPAC Name: sodium hydroxy-(3-methylphenyl)methanesulfonate Traditional Name: sodium hydroxy(m-tolyl)methanesulfonate Formula: C8H9NaO4S MolecularWeight: 224.20943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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