calcium (5E,7E)-4-oxidanylidene-8-phenyl-octa-5,7-dienoate

Systemtic Name: calcium (5E,7E)-4-oxidanylidene-8-phenyl-octa-5,7-dienoate Openeye Name: calcium (5E,7E)-4-oxo-8-phenyl-octa-5,7-dienoate CAS Name: calcium (5E,7E)-4-oxo-8-phenylocta-5,7-dienoate IUPAC Name: calcium (5E,7E)-4-oxo-8-phenylocta-5,7-dienoate Traditional Name: calcium (5E,7E)-4-keto-8-phenyl-octa-5,7-dienoate Formula: C28H26CaO6 MolecularWeight: 498.58044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC=CC(=O)CCC(=O)[O-].C1=CC=C(C=C1)C=CC=CC(=O)CCC(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C=C/C(=O)CCC(=O)[O-].C1=CC=C(C=C1)/C=C/C=C/C(=O)CCC(=O)[O-].[Ca+2]

InChI

InChI=1S/2C14H14O3.Ca/c2*15-13(10-11-14(16)17)9-5-4-8-12-6-2-1-3-7-12;/h2*1-9H,10-11H2,(H,16,17);/q;;+2/p-2/b2*8-4+,9-5+;