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

Systemtic Name: calcium (E)-4-dodecoxy-4-oxidanylidene-but-2-enoate Openeye Name: calcium (E)-4-dodecoxy-4-oxo-but-2-enoate CAS Name: calcium (E)-4-dodecoxy-4-oxo-2-butenoate IUPAC Name: calcium (E)-4-dodecoxy-4-oxobut-2-enoate Traditional Name: calcium (E)-4-keto-4-lauryloxy-but-2-enoate Formula: C16H27CaO4+ MolecularWeight: 323.46118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28O4.Ca/c1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;/h12-13H,2-11,14H2,1H3,(H,17,18);/q;+2/p-1/b13-12+;