sodium 2-(4-methylphenyl)sulfonylethanoate

Systemtic Name: sodium 2-(4-methylphenyl)sulfonylethanoate Openeye Name: sodium 2-(p-tolylsulfonyl)acetate CAS Name: sodium 2-(4-methylphenyl)sulfonylacetate IUPAC Name: sodium 2-(4-methylphenyl)sulfonylacetate Traditional Name: sodium 2-tosylacetate Formula: C9H9NaO4S MolecularWeight: 236.22013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O4S.Na/c1-7-2-4-8(5-3-7)14(12,13)6-9(10)11;/h2-5H,6H2,1H3,(H,10,11);/q;+1/p-1