3-(2-azanyl-1-oxidanyl-ethyl)phenol; (E)-but-2-enedioic acid

Systemtic Name: 3-(2-azanyl-1-oxidanyl-ethyl)phenol; (E)-but-2-enedioic acid Openeye Name: 3-(2-amino-1-hydroxy-ethyl)phenol; fumaric acid CAS Name: 3-(2-amino-1-hydroxyethyl)phenol; (E)-2-butenedioic acid IUPAC Name: 3-(2-amino-1-hydroxyethyl)phenol; (E)-but-2-enedioic acid Traditional Name: 3-(2-amino-1-hydroxy-ethyl)phenol; fumaric acid Formula: C12H15NO6 MolecularWeight: 269.2506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C(CN)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)O)C(CN)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H11NO2.C4H4O4/c9-5-8(11)6-2-1-3-7(10)4-6;5-3(6)1-2-4(7)8/h1-4,8,10-11H,5,9H2;1-2H,(H,5,6)(H,7,8)/b;2-1+