dioctan-2-yl phosphate; neodymium(3+)

Systemtic Name: dioctan-2-yl phosphate; neodymium(3+) Openeye Name: bis(1-methylheptyl) phosphate; neodymium(3+) CAS Name: dioctan-2-yl phosphate; neodymium(3+) IUPAC Name: dioctan-2-yl phosphate; neodymium(3+) Traditional Name: bis(1-methylheptyl) phosphate; neodymium(3+) Formula: C48H102NdO12P3 MolecularWeight: 1108.477563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OP(=O)([O-])OC(C)CCCCCC.CCCCCCC(C)OP(=O)([O-])OC(C)CCCCCC.CCCCCCC(C)OP(=O)([O-])OC(C)CCCCCC.[Nd+3]

Isomeric SMILES

CCCCCCC(C)OP(=O)([O-])OC(C)CCCCCC.CCCCCCC(C)OP(=O)([O-])OC(C)CCCCCC.CCCCCCC(C)OP(=O)([O-])OC(C)CCCCCC.[Nd+3]

InChI

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