iron(2+); 1-methanidyl-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethyl)phospholane

Systemtic Name: iron(2+); 1-methanidyl-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethyl)phospholane Openeye Name: ferrous 2,5-dibenzyl-3,4-dibenzyloxy-1-methanidyl-phospholane CAS Name: iron(2+); 1-methanidyl-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethyl)phospholane IUPAC Name: 2,5-dibenzyl-1-methanidyl-3,4-bis(phenylmethoxy)phospholane; iron(2+) Traditional Name: ferrous 3,4-dibenzoxy-2,5-dibenzyl-1-methanidyl-phospholane Formula: C66H68FeO4P2 MolecularWeight: 1043.036242

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]P1C(C(C(C1CC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5.[CH2-]P1C(C(C(C1CC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5.[Fe+2]

Isomeric SMILES

[CH2-]P1C(C(C(C1CC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5.[CH2-]P1C(C(C(C1CC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5.[Fe+2]

InChI

InChI=1S/2C33H34O2P.Fe/c2*1-36-30(22-26-14-6-2-7-15-26)32(34-24-28-18-10-4-11-19-28)33(35-25-29-20-12-5-13-21-29)31(36)23-27-16-8-3-9-17-27;/h2*2-21,30-33H,1,22-25H2;/q2*-1;+2