calcium 4-ethenyl-5-oxidanylidene-2H-furan-2-olate hydrate

Systemtic Name: calcium 4-ethenyl-5-oxidanylidene-2H-furan-2-olate hydrate Openeye Name: calcium 5-oxo-4-vinyl-2H-furan-2-olate hydrate CAS Name: calcium 4-ethenyl-5-oxo-2H-furan-2-olate hydrate IUPAC Name: calcium 4-ethenyl-5-oxo-2H-furan-2-olate hydrate Traditional Name: calcium 5-keto-4-vinyl-2H-furan-2-olate hydrate Formula: C12H12CaO7 MolecularWeight: 308.29748

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC(OC1=O)[O-].C=CC1=CC(OC1=O)[O-].O.[Ca+2]

Isomeric SMILES

C=CC1=CC(OC1=O)[O-].C=CC1=CC(OC1=O)[O-].O.[Ca+2]

InChI

InChI=1S/2C6H5O3.Ca.H2O/c2*1-2-4-3-5(7)9-6(4)8;;/h2*2-3,5H,1H2;;1H2/q2*-1;+2;