(E)-but-2-enedioate; propanal

Systemtic Name: (E)-but-2-enedioate; propanal Openeye Name: (E)-but-2-enedioate; propanal CAS Name: (E)-2-butenedioate; propanal IUPAC Name: (E)-but-2-enedioate; propanal Traditional Name: propionaldehyde fumarate Formula: C7H8O5-2 MolecularWeight: 172.13542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H4O4.C3H6O/c5-3(6)1-2-4(7)8;1-2-3-4/h1-2H,(H,5,6)(H,7,8);3H,2H2,1H3/p-2/b2-1+;