calcium 5-oxidanylidenehept-6-enoate

Systemtic Name: calcium 5-oxidanylidenehept-6-enoate Openeye Name: calcium 5-oxohept-6-enoate CAS Name: calcium 5-oxo-6-heptenoate IUPAC Name: calcium 5-oxohept-6-enoate Traditional Name: calcium 5-ketohept-6-enoate Formula: C7H9CaO3+ MolecularWeight: 181.22256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H10O3.Ca/c1-2-6(8)4-3-5-7(9)10;/h2H,1,3-5H2,(H,9,10);/q;+2/p-1