calcium 2-(5-phenylpentyl)oxirane-2-carboxylate

Systemtic Name: calcium 2-(5-phenylpentyl)oxirane-2-carboxylate Openeye Name: calcium 2-(5-phenylpentyl)oxirane-2-carboxylate CAS Name: calcium 2-(5-phenylpentyl)-2-oxiranecarboxylate IUPAC Name: calcium 2-(5-phenylpentyl)oxirane-2-carboxylate Traditional Name: calcium 2-(5-phenylpentyl)oxirane-2-carboxylate Formula: C28H34CaO6 MolecularWeight: 506.64396

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)(CCCCCC2=CC=CC=C2)C(=O)[O-].C1C(O1)(CCCCCC2=CC=CC=C2)C(=O)[O-].[Ca+2]

Isomeric SMILES

C1C(O1)(CCCCCC2=CC=CC=C2)C(=O)[O-].C1C(O1)(CCCCCC2=CC=CC=C2)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C14H18O3.Ca/c2*15-13(16)14(11-17-14)10-6-2-5-9-12-7-3-1-4-8-12;/h2*1,3-4,7-8H,2,5-6,9-11H2,(H,15,16);/q;;+2/p-2