calcium (Z)-4-oxidanylidenepent-2-en-2-olate hydrate

Systemtic Name: calcium (Z)-4-oxidanylidenepent-2-en-2-olate hydrate Openeye Name: calcium (Z)-4-oxopent-2-en-2-olate hydrate CAS Name: calcium (Z)-4-oxo-2-penten-2-olate hydrate IUPAC Name: calcium (Z)-4-oxopent-2-en-2-olate hydrate Traditional Name: calcium (Z)-4-ketopent-2-en-2-olate hydrate Formula: C5H9CaO3+ MolecularWeight: 157.20116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H8O2.Ca.H2O/c1-4(6)3-5(2)7;;/h3,6H,1-2H3;;1H2/q;+2;/p-1/b4-3-;;