(E)-but-2-enedioate; 2-ethylhexanoic acid

Systemtic Name: (E)-but-2-enedioate; 2-ethylhexanoic acid Openeye Name: (E)-but-2-enedioate; 2-ethylhexanoic acid CAS Name: (E)-2-butenedioate; 2-ethylhexanoic acid IUPAC Name: (E)-but-2-enedioate; 2-ethylhexanoic acid Traditional Name: 2-ethylhexanoic acid fumarate Formula: C12H18O6-2 MolecularWeight: 258.26772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(CC)C(=O)O.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C8H16O2.C4H4O4/c1-3-5-6-7(4-2)8(9)10;5-3(6)1-2-4(7)8/h7H,3-6H2,1-2H3,(H,9,10);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+