(E)-but-2-enedioate; propan-2-one

Systemtic Name: (E)-but-2-enedioate; propan-2-one Openeye Name: acetone; (E)-but-2-enedioate CAS Name: (E)-2-butenedioate; 2-propanone IUPAC Name: (E)-but-2-enedioate; propan-2-one Traditional Name: acetone fumarate Formula: C7H8O5-2 MolecularWeight: 172.13542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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