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

Systemtic Name: (E)-but-2-enedioate; quinolin-1-ium Openeye Name: (E)-but-2-enedioate; quinolin-1-ium CAS Name: (E)-2-butenedioate; quinolin-1-ium IUPAC Name: (E)-but-2-enedioate; quinolin-1-ium Traditional Name: quinolin-1-ium fumarate Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=[NH+]2.C1=CC=C2C(=C1)C=CC=[NH+]2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=[NH+]2.C1=CC=C2C(=C1)C=CC=[NH+]2.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/2C9H7N.C4H4O4/c2*1-2-6-9-8(4-1)5-3-7-10-9;5-3(6)1-2-4(7)8/h2*1-7H;1-2H,(H,5,6)(H,7,8)/b;;2-1+