(E)-but-2-enedioic acid; 1H-indol-5-yl hydrogen carbonate

Systemtic Name: (E)-but-2-enedioic acid; 1H-indol-5-yl hydrogen carbonate Openeye Name: fumaric acid; 1H-indol-5-yl hydrogen carbonate CAS Name: (E)-2-butenedioic acid; carbonic acid 1H-indol-5-yl ester IUPAC Name: (E)-but-2-enedioic acid; 1H-indol-5-yl hydrogen carbonate Traditional Name: carbonic acid 1H-indol-5-yl ester; fumaric acid Formula: C13H11NO7 MolecularWeight: 293.22894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2)C=C1OC(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CN2)C=C1OC(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H7NO3.C4H4O4/c11-9(12)13-7-1-2-8-6(5-7)3-4-10-8;5-3(6)1-2-4(7)8/h1-5,10H,(H,11,12);1-2H,(H,5,6)(H,7,8)/b;2-1+