calcium; (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: calcium; (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid Openeye Name: calcium; (E)-4-methoxy-4-oxo-but-2-enoic acid CAS Name: calcium; (E)-4-methoxy-4-oxo-2-butenoic acid IUPAC Name: calcium; (E)-4-methoxy-4-oxobut-2-enoic acid Traditional Name: calcium; (E)-4-keto-4-methoxy-but-2-enoic acid Formula: C5H6CaO4 MolecularWeight: 170.17674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)O.[Ca]

Isomeric SMILES

COC(=O)/C=C/C(=O)O.[Ca]

InChI

InChI=1S/C5H6O4.Ca/c1-9-5(8)3-2-4(6)7;/h2-3H,1H3,(H,6,7);/b3-2+;