bis(4-nonylphenyl) phosphate; neodymium(3+)

Systemtic Name: bis(4-nonylphenyl) phosphate; neodymium(3+) Openeye Name: bis(4-nonylphenyl) phosphate; neodymium(3+) CAS Name: bis(4-nonylphenyl) phosphate; neodymium(3+) IUPAC Name: bis(4-nonylphenyl) phosphate; neodymium(3+) Traditional Name: bis(4-nonylphenyl) phosphate; neodymium(3+) Formula: C90H138NdO12P3 MolecularWeight: 1649.212803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)CCCCCCCCC.CCCCCCCCCC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)CCCCCCCCC.CCCCCCCCCC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)CCCCCCCCC.[Nd+3]

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)CCCCCCCCC.CCCCCCCCCC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)CCCCCCCCC.CCCCCCCCCC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)CCCCCCCCC.[Nd+3]

InChI

InChI=1S/3C30H47O4P.Nd/c3*1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)33-35(31,32)34-30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2;/h3*19-26H,3-18H2,1-2H3,(H,31,32);/q;;;+3/p-3