calcium 2-[4-(3-chloranylphenoxy)butyl]oxirane-2-carboxylate

Systemtic Name: calcium 2-[4-(3-chloranylphenoxy)butyl]oxirane-2-carboxylate Openeye Name: calcium 2-[4-(3-chlorophenoxy)butyl]oxirane-2-carboxylate CAS Name: calcium 2-[4-(3-chlorophenoxy)butyl]-2-oxiranecarboxylate IUPAC Name: calcium 2-[4-(3-chlorophenoxy)butyl]oxirane-2-carboxylate Traditional Name: calcium 2-[4-(3-chlorophenoxy)butyl]oxirane-2-carboxylate Formula: C13H14CaClO4+ MolecularWeight: 309.77886

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)(CCCCOC2=CC(=CC=C2)Cl)C(=O)[O-].[Ca+2]

Isomeric SMILES

C1C(O1)(CCCCOC2=CC(=CC=C2)Cl)C(=O)[O-].[Ca+2]

InChI

InChI=1S/C13H15ClO4.Ca/c14-10-4-3-5-11(8-10)17-7-2-1-6-13(9-18-13)12(15)16;/h3-5,8H,1-2,6-7,9H2,(H,15,16);/q;+2/p-1