calcium (E)-3-hexoxycarbonylpent-2-enoate

Systemtic Name: calcium (E)-3-hexoxycarbonylpent-2-enoate Openeye Name: calcium (E)-3-hexoxycarbonylpent-2-enoate CAS Name: calcium (E)-3-[hexoxy(oxo)methyl]-2-pentenoate IUPAC Name: calcium (E)-3-hexoxycarbonylpent-2-enoate Traditional Name: calcium (E)-3-hexoxycarbonylpent-2-enoate Formula: C24H38CaO8 MolecularWeight: 494.63172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H20O4.Ca/c2*1-3-5-6-7-8-16-12(15)10(4-2)9-11(13)14;/h2*9H,3-8H2,1-2H3,(H,13,14);/q;;+2/p-2/b2*10-9+;