cyclopenten-1-yl-bis(2,6-dimethylphenoxy)phosphane; iron(2+)

Systemtic Name: cyclopenten-1-yl-bis(2,6-dimethylphenoxy)phosphane; iron(2+) Openeye Name: ferrous cyclopenten-1-yl-bis(2,6-dimethylphenoxy)phosphane CAS Name: 1-cyclopentenyl-bis(2,6-dimethylphenoxy)phosphine; iron(2+) IUPAC Name: cyclopenten-1-yl-bis(2,6-dimethylphenoxy)phosphane; iron(2+) Traditional Name: ferrous cyclopenten-1-yl-bis(2,6-dimethylphenoxy)phosphine Formula: C42H48FeO4P2 MolecularWeight: 734.620642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OP(C2=CC[CH-]C2)OC3=C(C=CC=C3C)C.CC1=C(C(=CC=C1)C)OP(C2=CC[CH-]C2)OC3=C(C=CC=C3C)C.[Fe+2]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OP(C2=CC[CH-]C2)OC3=C(C=CC=C3C)C.CC1=C(C(=CC=C1)C)OP(C2=CC[CH-]C2)OC3=C(C=CC=C3C)C.[Fe+2]

InChI

InChI=1S/2C21H24O2P.Fe/c2*1-15-9-7-10-16(2)20(15)22-24(19-13-5-6-14-19)23-21-17(3)11-8-12-18(21)4;/h2*5,7-12,14H,6,13H2,1-4H3;/q2*-1;+2