bis(2-ethylhexyl) phosphate; cerium(4+); 2-ethylhexanoate

Systemtic Name: bis(2-ethylhexyl) phosphate; cerium(4+); 2-ethylhexanoate Openeye Name: bis(2-ethylhexyl) phosphate; cerium(4+); 2-ethylhexanoate CAS Name: bis(2-ethylhexyl) phosphate; cerium(4+); 2-ethylhexanoate IUPAC Name: bis(2-ethylhexyl) phosphate; cerium(4+); 2-ethylhexanoate Traditional Name: bis(2-ethylhexyl) phosphate; cerium(4+); 2-ethylhexanoate Formula: C48H98CeO12P2 MolecularWeight: 1069.348042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ce+4]

Isomeric SMILES

CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ce+4]

InChI

InChI=1S/2C16H35O4P.2C8H16O2.Ce/c2*1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;2*1-3-5-6-7(4-2)8(9)10;/h2*15-16H,5-14H2,1-4H3,(H,17,18);2*7H,3-6H2,1-2H3,(H,9,10);/q;;;;+4/p-4