(E)-but-2-enedioic acid; ethanamine; hydrate

Systemtic Name: (E)-but-2-enedioic acid; ethanamine; hydrate Openeye Name: ethanamine; fumaric acid; hydrate CAS Name: (E)-2-butenedioic acid; ethanamine; hydrate IUPAC Name: (E)-but-2-enedioic acid; ethanamine; hydrate Traditional Name: ethylamine; fumaric acid; hydrate Formula: C6H13NO5 MolecularWeight: 179.17112

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Descriptors Computed from Structure

Canonical SMILES:

CCN.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

CCN.C(=C/C(=O)O)\C(=O)O.O

InChI

InChI=1S/C4H4O4.C2H7N.H2O/c5-3(6)1-2-4(7)8;1-2-3;/h1-2H,(H,5,6)(H,7,8);2-3H2,1H3;1H2/b2-1+;;