4,5-bis(2-hydroxyethyl)-2-sulfo-benzene-1,3-dicarboxylate

Systemtic Name: 4,5-bis(2-hydroxyethyl)-2-sulfo-benzene-1,3-dicarboxylate Openeye Name: 4,5-bis(2-hydroxyethyl)-2-sulfo-benzene-1,3-dicarboxylate CAS Name: 4,5-bis(2-hydroxyethyl)-2-sulfobenzene-1,3-dicarboxylate IUPAC Name: 4,5-bis(2-hydroxyethyl)-2-sulfobenzene-1,3-dicarboxylate Traditional Name: 4,5-bis(2-hydroxyethyl)-2-sulfo-isophthalate Formula: C12H12O9S-2 MolecularWeight: 332.28328

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1CCO)CCO)C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

C1=C(C(=C(C(=C1CCO)CCO)C(=O)[O-])S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C12H14O9S/c13-3-1-6-5-8(11(15)16)10(22(19,20)21)9(12(17)18)7(6)2-4-14/h5,13-14H,1-4H2,(H,15,16)(H,17,18)(H,19,20,21)/p-2