sodium 2,2-bis(4-methylsulfanylphenoxy)ethanoate

Systemtic Name: sodium 2,2-bis(4-methylsulfanylphenoxy)ethanoate Openeye Name: sodium 2,2-bis(4-methylsulfanylphenoxy)acetate CAS Name: sodium 2,2-bis[4-(methylthio)phenoxy]acetate IUPAC Name: sodium 2,2-bis(4-methylsulfanylphenoxy)acetate Traditional Name: sodium 2,2-bis[4-(methylthio)phenoxy]acetate Formula: C16H15NaO4S2 MolecularWeight: 358.40767

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC(C(=O)[O-])OC2=CC=C(C=C2)SC.[Na+]

Isomeric SMILES

CSC1=CC=C(C=C1)OC(C(=O)[O-])OC2=CC=C(C=C2)SC.[Na+]

InChI

InChI=1S/C16H16O4S2.Na/c1-21-13-7-3-11(4-8-13)19-16(15(17)18)20-12-5-9-14(22-2)10-6-12;/h3-10,16H,1-2H3,(H,17,18);/q;+1/p-1