(E)-but-2-enedioate; hexanoate

Systemtic Name: (E)-but-2-enedioate; hexanoate Openeye Name: (E)-but-2-enedioate; hexanoate CAS Name: (E)-2-butenedioate; hexanoate IUPAC Name: (E)-but-2-enedioate; hexanoate Traditional Name: hexanoate fumarate Formula: C10H13O6-3 MolecularWeight: 229.20662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H12O2.C4H4O4/c1-2-3-4-5-6(7)8;5-3(6)1-2-4(7)8/h2-5H2,1H3,(H,7,8);1-2H,(H,5,6)(H,7,8)/p-3/b;2-1+