sodium 3-methoxy-4-methyl-benzenesulfonate

Systemtic Name: sodium 3-methoxy-4-methyl-benzenesulfonate Openeye Name: sodium 3-methoxy-4-methyl-benzenesulfonate CAS Name: sodium 3-methoxy-4-methylbenzenesulfonate IUPAC Name: sodium 3-methoxy-4-methylbenzenesulfonate Traditional Name: sodium 3-methoxy-4-methyl-besylate Formula: C8H9NaO4S MolecularWeight: 224.20943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10O4S.Na/c1-6-3-4-7(13(9,10)11)5-8(6)12-2;/h3-5H,1-2H3,(H,9,10,11);/q;+1/p-1