calcium 8-(3-octyloxiran-2-yl)octanoate

Systemtic Name: calcium 8-(3-octyloxiran-2-yl)octanoate Openeye Name: calcium 8-(3-octyloxiran-2-yl)octanoate CAS Name: calcium 8-(3-octyl-2-oxiranyl)octanoate IUPAC Name: calcium 8-(3-octyloxiran-2-yl)octanoate Traditional Name: calcium 8-(3-octyloxiran-2-yl)caprylate Formula: C36H66CaO6 MolecularWeight: 634.98364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(O1)CCCCCCCC(=O)[O-].CCCCCCCCC1C(O1)CCCCCCCC(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCC1C(O1)CCCCCCCC(=O)[O-].CCCCCCCCC1C(O1)CCCCCCCC(=O)[O-].[Ca+2]

InChI

InChI=1S/2C18H34O3.Ca/c2*1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20;/h2*16-17H,2-15H2,1H3,(H,19,20);/q;;+2/p-2