bis(2-ethylhexyl) phosphate; iron(3+)

Systemtic Name: bis(2-ethylhexyl) phosphate; iron(3+) Openeye Name: ferric bis(2-ethylhexyl) phosphate CAS Name: bis(2-ethylhexyl) phosphate; iron(3+) IUPAC Name: bis(2-ethylhexyl) phosphate; iron(3+) Traditional Name: ferric bis(2-ethylhexyl) phosphate Formula: C48H102FeO12P3 MolecularWeight: 1020.082563

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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)COP(=O)([O-])OCC(CC)CCCC.[Fe+3]

Isomeric SMILES

CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.[Fe+3]

InChI

InChI=1S/3C16H35O4P.Fe/c3*1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;/h3*15-16H,5-14H2,1-4H3,(H,17,18);/q;;;+3/p-3