(E)-but-2-enedioate; 4,4-dimethylmorpholin-4-ium

Systemtic Name: (E)-but-2-enedioate; 4,4-dimethylmorpholin-4-ium Openeye Name: (E)-but-2-enedioate; 4,4-dimethylmorpholin-4-ium CAS Name: (E)-2-butenedioate; 4,4-dimethylmorpholin-4-ium IUPAC Name: (E)-but-2-enedioate; 4,4-dimethylmorpholin-4-ium Traditional Name: 4,4-dimethylmorpholin-4-ium fumarate Formula: C16H30N2O6 MolecularWeight: 346.4192

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)C.C[N+]1(CCOCC1)C.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[N+]1(CCOCC1)C.C[N+]1(CCOCC1)C.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/2C6H14NO.C4H4O4/c2*1-7(2)3-5-8-6-4-7;5-3(6)1-2-4(7)8/h2*3-6H2,1-2H3;1-2H,(H,5,6)(H,7,8)/q2*+1;/p-2/b;;2-1+