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

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: C10H16CaO5
MolecularWeight: 256.30904
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C5H8O2.Ca.H2O/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;1H2/q;;+2;/p-2/b2*4-3-;;


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