calcium (E)-4-ethoxy-4-oxidanylidene-but-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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