2-methylidenebutanedioate; tris(2-hydroxyethyl)azanium

Systemtic Name: 2-methylidenebutanedioate; tris(2-hydroxyethyl)azanium Openeye Name: 2-methylenebutanedioate; tris(2-hydroxyethyl)ammonium CAS Name: 2-methylenebutanedioate; tris(2-hydroxyethyl)ammonium IUPAC Name: 2-methylidenebutanedioate; tris(2-hydroxyethyl)azanium Traditional Name: itaconate; tris(2-hydroxyethyl)ammonium Formula: C17H36N2O10 MolecularWeight: 428.47514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H15NO3.C5H6O4/c2*8-4-1-7(2-5-9)3-6-10;1-3(5(8)9)2-4(6)7/h2*8-10H,1-6H2;1-2H2,(H,6,7)(H,8,9)