(E)-but-2-enedioate; decanoate

Systemtic Name: (E)-but-2-enedioate; decanoate Openeye Name: (E)-but-2-enedioate; decanoate CAS Name: (E)-2-butenedioate; decanoate IUPAC Name: (E)-but-2-enedioate; decanoate Traditional Name: caprate fumarate Formula: C14H21O6-3 MolecularWeight: 285.31294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCC(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C10H20O2.C4H4O4/c1-2-3-4-5-6-7-8-9-10(11)12;5-3(6)1-2-4(7)8/h2-9H2,1H3,(H,11,12);1-2H,(H,5,6)(H,7,8)/p-3/b;2-1+