aluminum calcium 4,4-bis(oxidanyl)-2-oxidanylidene-but-3-enoate

Systemtic Name: aluminum calcium 4,4-bis(oxidanyl)-2-oxidanylidene-but-3-enoate Openeye Name: aluminum calcium 4,4-dihydroxy-2-oxo-but-3-enoate CAS Name: aluminum calcium 4,4-dihydroxy-2-oxo-3-butenoate IUPAC Name: aluminum calcium 4,4-dihydroxy-2-oxobut-3-enoate Traditional Name: aluminum calcium 4,4-dihydroxy-2-keto-but-3-enoate Formula: C20H15AlCaO25 MolecularWeight: 722.377638

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Descriptors Computed from Structure

Canonical SMILES:

C(=C(O)O)C(=O)C(=O)[O-].C(=C(O)O)C(=O)C(=O)[O-].C(=C(O)O)C(=O)C(=O)[O-].C(=C(O)O)C(=O)C(=O)[O-].C(=C(O)O)C(=O)C(=O)[O-].[Al+3].[Ca+2]

Isomeric SMILES

C(=C(O)O)C(=O)C(=O)[O-].C(=C(O)O)C(=O)C(=O)[O-].C(=C(O)O)C(=O)C(=O)[O-].C(=C(O)O)C(=O)C(=O)[O-].C(=C(O)O)C(=O)C(=O)[O-].[Al+3].[Ca+2]

InChI

InChI=1S/5C4H4O5.Al.Ca/c5*5-2(4(8)9)1-3(6)7;;/h5*1,6-7H,(H,8,9);;/q;;;;;+3;+2/p-5