neodymium(3+); [tris(4-methylphenoxy)-$l^{5}-phosphanylidene]oxidanium

Systemtic Name: neodymium(3+); [tris(4-methylphenoxy)-$l^{5}-phosphanylidene]oxidanium Openeye Name: neodymium(3+); [tris(4-methylphenoxy)-$l^{5}-phosphanylidene]oxonium CAS Name: neodymium(3+); tris(4-methylphenoxy)phosphoranylideneoxonium IUPAC Name: neodymium(3+); [tris(4-methylphenoxy)-$l^{5}-phosphanylidene]oxidanium Traditional Name: neodymium(3+); tris(4-methylphenoxy)phosphoranylideneoxonium Formula: C84H88NdO16P4+7 MolecularWeight: 1621.722964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OP(=[OH+])(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.CC1=CC=C(C=C1)OP(=[OH+])(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.CC1=CC=C(C=C1)OP(=[OH+])(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.CC1=CC=C(C=C1)OP(=[OH+])(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.[Nd+3]

Isomeric SMILES

CC1=CC=C(C=C1)OP(=[OH+])(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.CC1=CC=C(C=C1)OP(=[OH+])(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.CC1=CC=C(C=C1)OP(=[OH+])(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.CC1=CC=C(C=C1)OP(=[OH+])(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.[Nd+3]

InChI

InChI=1S/4C21H21O4P.Nd/c4*1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;/h4*4-15H,1-3H3;/q;;;;+3/p+4