methylazanium; 2-methylidenebutanedioate

Systemtic Name: methylazanium; 2-methylidenebutanedioate Openeye Name: methylammonium; 2-methylenebutanedioate CAS Name: methylammonium; 2-methylenebutanedioate IUPAC Name: methylazanium; 2-methylidenebutanedioate Traditional Name: itaconate; methylammonium Formula: C7H16N2O4 MolecularWeight: 192.21294

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Descriptors Computed from Structure

Canonical SMILES:

C[NH3+].C[NH3+].C=C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[NH3+].C[NH3+].C=C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C5H6O4.2CH5N/c1-3(5(8)9)2-4(6)7;2*1-2/h1-2H2,(H,6,7)(H,8,9);2*2H2,1H3