calcium (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: calcium (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: calcium (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: calcium (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: calcium (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: calcium (E)-4-hydroxy-4-keto-but-2-enoate Formula: C8H6CaO8 MolecularWeight: 270.20644

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Descriptors Computed from Structure

Canonical SMILES:

C(=CC(=O)[O-])C(=O)O.C(=CC(=O)[O-])C(=O)O.[Ca+2]

Isomeric SMILES

C(=C/C(=O)[O-])\C(=O)O.C(=C/C(=O)[O-])\C(=O)O.[Ca+2]

InChI

InChI=1S/2C4H4O4.Ca/c2*5-3(6)1-2-4(7)8;/h2*1-2H,(H,5,6)(H,7,8);/q;;+2/p-2/b2*2-1+;