(E)-but-2-enedioate; pyridin-1-ium

Systemtic Name: (E)-but-2-enedioate; pyridin-1-ium Openeye Name: (E)-but-2-enedioate; pyridin-1-ium CAS Name: (E)-2-butenedioate; pyridin-1-ium IUPAC Name: (E)-but-2-enedioate; pyridin-1-ium Traditional Name: pyridin-1-ium fumarate Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/2C5H5N.C4H4O4/c2*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8/h2*1-5H;1-2H,(H,5,6)(H,7,8)/b;;2-1+