phthalate; tris(2-hydroxyethyl)azanium

Systemtic Name: phthalate; tris(2-hydroxyethyl)azanium Openeye Name: phthalate; tris(2-hydroxyethyl)ammonium CAS Name: phthalate; tris(2-hydroxyethyl)ammonium IUPAC Name: phthalate; tris(2-hydroxyethyl)azanium Traditional Name: phthalate; tris(2-hydroxyethyl)ammonium Formula: C20H36N2O10 MolecularWeight: 464.50724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C(CO)[NH+](CCO)CCO.C(CO)[NH+](CCO)CCO

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C(CO)[NH+](CCO)CCO.C(CO)[NH+](CCO)CCO

InChI

InChI=1S/C8H6O4.2C6H15NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*8-4-1-7(2-5-9)3-6-10/h1-4H,(H,9,10)(H,11,12);2*8-10H,1-6H2