(E)-but-2-enedioic acid; 4-propylhept-1-yn-4-amine

Systemtic Name: (E)-but-2-enedioic acid; 4-propylhept-1-yn-4-amine Openeye Name: fumaric acid; 4-propylhept-1-yn-4-amine CAS Name: (E)-2-butenedioic acid; 4-propyl-1-heptyn-4-amine IUPAC Name: (E)-but-2-enedioic acid; 4-propylhept-1-yn-4-amine Traditional Name: 1,1-dipropylbut-3-ynylamine; fumaric acid Formula: C14H23NO4 MolecularWeight: 269.33672

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(CC#C)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC(CCC)(CC#C)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H19N.C4H4O4/c1-4-7-10(11,8-5-2)9-6-3;5-3(6)1-2-4(7)8/h1H,5-9,11H2,2-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+