tetrasodium 5-(3-sulfonatopropoxy)benzene-1,3-dicarboxylate

Systemtic Name: tetrasodium 5-(3-sulfonatopropoxy)benzene-1,3-dicarboxylate Openeye Name: tetrasodium 5-(3-sulfonatopropoxy)benzene-1,3-dicarboxylate CAS Name: tetrasodium 5-(3-sulfonatopropoxy)benzene-1,3-dicarboxylate IUPAC Name: tetrasodium 5-(3-sulfonatopropoxy)benzene-1,3-dicarboxylate Traditional Name: tetrasodium 5-(3-sulfonatopropoxy)isophthalate Formula: C11H8Na4O8S MolecularWeight: 392.2005

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)[O-])O[CH-]CCS(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=C(C=C(C=C1C(=O)[O-])O[CH-]CCS(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C11H11O8S.4Na/c12-10(13)7-4-8(11(14)15)6-9(5-7)19-2-1-3-20(16,17)18;;;;/h2,4-6H,1,3H2,(H,12,13)(H,14,15)(H,16,17,18);;;;/q-1;4*+1/p-3