iron(2+); [tris(4-methylphenoxy)-$l^{5}-phosphanylidene]oxidanium

Systemtic Name: iron(2+); [tris(4-methylphenoxy)-$l^{5}-phosphanylidene]oxidanium Openeye Name: ferrous [tris(4-methylphenoxy)-$l^{5}-phosphanylidene]oxonium CAS Name: iron(2+); tris(4-methylphenoxy)phosphoranylideneoxonium IUPAC Name: iron(2+); [tris(4-methylphenoxy)-$l^{5}-phosphanylidene]oxidanium Traditional Name: ferrous tris(4-methylphenoxy)phosphoranylideneoxonium Formula: C84H88FeO16P4+6 MolecularWeight: 1533.327964

Click to see the large picture

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.[Fe+2]

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.[Fe+2]

InChI

InChI=1S/4C21H21O4P.Fe/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;;;;+2/p+4