calcium (E)-4-oxidanylpent-2-enoate

Systemtic Name: calcium (E)-4-oxidanylpent-2-enoate Openeye Name: calcium (E)-4-hydroxypent-2-enoate CAS Name: calcium (E)-4-hydroxy-2-pentenoate IUPAC Name: calcium (E)-4-hydroxypent-2-enoate Traditional Name: calcium (E)-4-hydroxypent-2-enoate Formula: C10H14CaO6 MolecularWeight: 270.29256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C5H8O3.Ca/c2*1-4(6)2-3-5(7)8;/h2*2-4,6H,1H3,(H,7,8);/q;;+2/p-2/b2*3-2+;