(E)-but-2-enedioic acid; 3-ethylpentan-3-ylazanium

Systemtic Name: (E)-but-2-enedioic acid; 3-ethylpentan-3-ylazanium Openeye Name: 1,1-diethylpropylammonium; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-ethylpentan-3-ylammonium IUPAC Name: (E)-but-2-enedioic acid; 3-ethylpentan-3-ylazanium Traditional Name: 1,1-diethylpropylammonium; fumaric acid Formula: C11H22NO4+ MolecularWeight: 232.29668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC)[NH3+].C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(CC)(CC)[NH3+].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C7H17N.C4H4O4/c1-4-7(8,5-2)6-3;5-3(6)1-2-4(7)8/h4-6,8H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p+1/b;2-1+