calcium 2-(5-oxidanylpentyl)benzoate

Systemtic Name: calcium 2-(5-oxidanylpentyl)benzoate Openeye Name: calcium 2-(5-hydroxypentyl)benzoate CAS Name: calcium 2-(5-hydroxypentyl)benzoate IUPAC Name: calcium 2-(5-hydroxypentyl)benzoate Traditional Name: calcium 2-(5-hydroxypentyl)benzoate Formula: C24H30CaO6 MolecularWeight: 454.5694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H16O3.Ca/c2*13-9-5-1-2-6-10-7-3-4-8-11(10)12(14)15;/h2*3-4,7-8,13H,1-2,5-6,9H2,(H,14,15);/q;;+2/p-2