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

Systemtic Name: calcium (E)-4-oxidanylidene-4-propoxy-but-2-enoate Openeye Name: calcium (E)-4-oxo-4-propoxy-but-2-enoate CAS Name: calcium (E)-4-oxo-4-propoxy-2-butenoate IUPAC Name: calcium (E)-4-oxo-4-propoxybut-2-enoate Traditional Name: calcium (E)-4-keto-4-propoxy-but-2-enoate Formula: C14H18CaO8 MolecularWeight: 354.36592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H10O4.Ca/c2*1-2-5-11-7(10)4-3-6(8)9;/h2*3-4H,2,5H2,1H3,(H,8,9);/q;;+2/p-2/b2*4-3+;