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: C32H54CaO8 MolecularWeight: 606.84436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C16H28O4.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;/h2*12-13H,2-11,14H2,1H3,(H,17,18);/q;;+2/p-2/b2*13-12+;