barium(2+); 8-[3-(2-oxidanyloctyl)oxiran-2-yl]octanoate

Systemtic Name: barium(2+); 8-[3-(2-oxidanyloctyl)oxiran-2-yl]octanoate Openeye Name: barium(2+); 8-[3-(2-hydroxyoctyl)oxiran-2-yl]octanoate CAS Name: barium(2+); 8-[3-(2-hydroxyoctyl)-2-oxiranyl]octanoate IUPAC Name: barium(2+); 8-[3-(2-hydroxyoctyl)oxiran-2-yl]octanoate Traditional Name: barium(2+); 8-[3-(2-hydroxyoctyl)oxiran-2-yl]caprylate Formula: C36H66BaO8 MolecularWeight: 764.23144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC1C(O1)CCCCCCCC(=O)[O-])O.CCCCCCC(CC1C(O1)CCCCCCCC(=O)[O-])O.[Ba+2]

Isomeric SMILES

CCCCCCC(CC1C(O1)CCCCCCCC(=O)[O-])O.CCCCCCC(CC1C(O1)CCCCCCCC(=O)[O-])O.[Ba+2]

InChI

InChI=1S/2C18H34O4.Ba/c2*1-2-3-4-8-11-15(19)14-17-16(22-17)12-9-6-5-7-10-13-18(20)21;/h2*15-17,19H,2-14H2,1H3,(H,20,21);/q;;+2/p-2