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

Systemtic Name: disodium 2,4-bis(2-hydroxyethyl)-5-sulfo-benzene-1,3-dicarboxylate Openeye Name: disodium 2,4-bis(2-hydroxyethyl)-5-sulfo-benzene-1,3-dicarboxylate CAS Name: disodium 2,4-bis(2-hydroxyethyl)-5-sulfobenzene-1,3-dicarboxylate IUPAC Name: disodium 2,4-bis(2-hydroxyethyl)-5-sulfobenzene-1,3-dicarboxylate Traditional Name: disodium 2,4-bis(2-hydroxyethyl)-5-sulfo-isophthalate Formula: C12H12Na2O9S MolecularWeight: 378.26282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1S(=O)(=O)O)CCO)C(=O)[O-])CCO)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=C(C(=C(C(=C1S(=O)(=O)O)CCO)C(=O)[O-])CCO)C(=O)[O-].[Na+].[Na+]

InChI

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