5-[bis(2-hydroxyethyl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[bis(2-hydroxyethyl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[bis(2-hydroxyethyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[bis(2-hydroxyethyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[bis(2-hydroxyethyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[bis(2-hydroxyethyl)amino]isophthalic acid Formula: C12H15NO6 MolecularWeight: 269.2506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)N(CCO)CCO)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)N(CCO)CCO)C(=O)O

InChI

InChI=1S/C12H15NO6/c14-3-1-13(2-4-15)10-6-8(11(16)17)5-9(7-10)12(18)19/h5-7,14-15H,1-4H2,(H,16,17)(H,18,19)