(E)-but-2-enedioic acid; 2,3-dihydro-1H-inden-4-amine

Systemtic Name: (E)-but-2-enedioic acid; 2,3-dihydro-1H-inden-4-amine Openeye Name: fumaric acid; indan-4-amine CAS Name: (E)-2-butenedioic acid; 2,3-dihydro-1H-inden-4-amine IUPAC Name: (E)-but-2-enedioic acid; 2,3-dihydro-1H-inden-4-amine Traditional Name: fumaric acid; indan-4-ylamine Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C(=CC=C2)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=C(C1)C(=CC=C2)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H11N.C4H4O4/c10-9-6-2-4-7-3-1-5-8(7)9;5-3(6)1-2-4(7)8/h2,4,6H,1,3,5,10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+