calcium 1-[4-carboxy-2,6-bis(oxidanylidene)cyclohexylidene]propan-1-olate

Systemtic Name: calcium 1-[4-carboxy-2,6-bis(oxidanylidene)cyclohexylidene]propan-1-olate Openeye Name: calcium 1-(4-carboxy-2,6-dioxo-cyclohexylidene)propan-1-olate CAS Name: calcium 1-(4-carboxy-2,6-dioxocyclohexylidene)-1-propanolate IUPAC Name: calcium 1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate Traditional Name: calcium 1-(4-carboxy-2,6-diketo-cyclohexylidene)propan-1-olate Formula: C20H22CaO10 MolecularWeight: 462.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2]

InChI

InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,11H,2-4H2,1H3,(H,14,15);/q;;+2/p-2