(E)-but-2-enedioic acid; quinolin-1-ium

Systemtic Name: (E)-but-2-enedioic acid; quinolin-1-ium Openeye Name: fumaric acid; quinolin-1-ium CAS Name: (E)-2-butenedioic acid; quinolin-1-ium IUPAC Name: (E)-but-2-enedioic acid; quinolin-1-ium Traditional Name: fumaric acid; quinolin-1-ium Formula: C17H16NO8+ MolecularWeight: 362.31084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C2[NH+]=CC=CC2=C1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H7N.2C4H4O4/c1-2-6-9-8(4-1)5-3-7-10-9;2*5-3(6)1-2-4(7)8/h1-7H;2*1-2H,(H,5,6)(H,7,8)/p+1/b;2*2-1+