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

Systemtic Name: (E)-but-2-enedioate; propan-2-one; hydrate Openeye Name: acetone; (E)-but-2-enedioate; hydrate CAS Name: (E)-2-butenedioate; 2-propanone; hydrate IUPAC Name: (E)-but-2-enedioate; propan-2-one; hydrate Traditional Name: acetone fumarate hydrate Formula: C10H16O7-2 MolecularWeight: 248.22984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H4O4.2C3H6O.H2O/c5-3(6)1-2-4(7)8;2*1-3(2)4;/h1-2H,(H,5,6)(H,7,8);2*1-2H3;1H2/p-2/b2-1+;;;