sodium 4-(2-hydroxyethyl)-5-sulfonato-benzene-1,3-dicarboxylate

Systemtic Name: sodium 4-(2-hydroxyethyl)-5-sulfonato-benzene-1,3-dicarboxylate Openeye Name: sodium 4-(2-hydroxyethyl)-5-sulfonato-benzene-1,3-dicarboxylate CAS Name: sodium 4-(2-hydroxyethyl)-5-sulfonatobenzene-1,3-dicarboxylate IUPAC Name: sodium 4-(2-hydroxyethyl)-5-sulfonatobenzene-1,3-dicarboxylate Traditional Name: sodium 4-(2-hydroxyethyl)-5-sulfonato-isophthalate Formula: C20H14NaO16S2-5 MolecularWeight: 597.43533

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(=O)[O-])CCO)S(=O)(=O)[O-])C(=O)[O-].C1=C(C=C(C(=C1C(=O)[O-])CCO)S(=O)(=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

C1=C(C=C(C(=C1C(=O)[O-])CCO)S(=O)(=O)[O-])C(=O)[O-].C1=C(C=C(C(=C1C(=O)[O-])CCO)S(=O)(=O)[O-])C(=O)[O-].[Na+]

InChI

InChI=1S/2C10H10O8S.Na/c2*11-2-1-6-7(10(14)15)3-5(9(12)13)4-8(6)19(16,17)18;/h2*3-4,11H,1-2H2,(H,12,13)(H,14,15)(H,16,17,18);/q;;+1/p-6