sodium methylbenzene sulfate

Systemtic Name: sodium methylbenzene sulfate Openeye Name: sodium toluene sulfate CAS Name: sodium toluene sulfate IUPAC Name: sodium toluene sulfate Traditional Name: sodium toluene sulfate Formula: C7H8NaO4S- MolecularWeight: 211.19079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.Na.H2O4S/c1-7-5-3-2-4-6-7;;1-5(2,3)4/h2-6H,1H3;;(H2,1,2,3,4)/q;+1;/p-2