2-[bis(2-hydroxyethyl)amino]ethanol; 2-phosphonobutane-1,2,4-tricarboxylic acid

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-phosphonobutane-1,2,4-tricarboxylic acid Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-phosphonobutane-1,2,4-tricarboxylic acid CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-phosphonobutane-1,2,4-tricarboxylic acid IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-phosphonobutane-1,2,4-tricarboxylic acid Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-phosphonobutane-1,2,4-tricarboxylic acid Formula: C13H26NO12P MolecularWeight: 419.318801

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O.C(CO)N(CCO)CCO

Isomeric SMILES

C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O.C(CO)N(CCO)CCO

InChI

InChI=1S/C7H11O9P.C6H15NO3/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16;8-4-1-7(2-5-9)3-6-10/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16);8-10H,1-6H2