calcium (Z)-2-methyl-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: calcium (Z)-2-methyl-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: calcium (Z)-4-hydroxy-2-methyl-4-oxo-but-2-enoate CAS Name: calcium (Z)-4-hydroxy-2-methyl-4-oxo-2-butenoate IUPAC Name: calcium (Z)-4-hydroxy-2-methyl-4-oxobut-2-enoate Traditional Name: calcium (Z)-4-hydroxy-4-keto-2-methyl-but-2-enoate Formula: C10H10CaO8 MolecularWeight: 298.2596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C5H6O4.Ca/c2*1-3(5(8)9)2-4(6)7;/h2*2H,1H3,(H,6,7)(H,8,9);/q;;+2/p-2/b2*3-2-;