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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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