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

Systemtic Name: calcium (Z)-2-ethyl-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: calcium (Z)-2-ethyl-4-hydroxy-4-oxo-but-2-enoate CAS Name: calcium (Z)-2-ethyl-4-hydroxy-4-oxo-2-butenoate IUPAC Name: calcium (Z)-2-ethyl-4-hydroxy-4-oxobut-2-enoate Traditional Name: calcium (Z)-2-ethyl-4-hydroxy-4-keto-but-2-enoate Formula: C12H14CaO8 MolecularWeight: 326.31276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H8O4.Ca/c2*1-2-4(6(9)10)3-5(7)8;/h2*3H,2H2,1H3,(H,7,8)(H,9,10);/q;;+2/p-2/b2*4-3-;