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

Systemtic Name: calcium (E)-4-hexoxy-4-oxidanylidene-but-2-enoate Openeye Name: calcium (E)-4-hexoxy-4-oxo-but-2-enoate CAS Name: calcium (E)-4-hexoxy-4-oxo-2-butenoate IUPAC Name: calcium (E)-4-hexoxy-4-oxobut-2-enoate Traditional Name: calcium (E)-4-hexoxy-4-keto-but-2-enoate Formula: C20H30CaO8 MolecularWeight: 438.5254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H16O4.Ca/c2*1-2-3-4-5-8-14-10(13)7-6-9(11)12;/h2*6-7H,2-5,8H2,1H3,(H,11,12);/q;;+2/p-2/b2*7-6+;