1-[2-bis(4-methoxy-3,5-dimethyl-phenyl)phosphanyl-5-ethyl-cyclopenta-2,4-dien-1-yl]-N-oxidanidyl-methanimine; iron(2+)

Systemtic Name: 1-[2-bis(4-methoxy-3,5-dimethyl-phenyl)phosphanyl-5-ethyl-cyclopenta-2,4-dien-1-yl]-N-oxidanidyl-methanimine; iron(2+) Openeye Name: ferrous 1-[2-bis(4-methoxy-3,5-dimethyl-phenyl)phosphanyl-5-ethyl-cyclopenta-2,4-dien-1-yl]-N-oxido-methanimine CAS Name: 1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphino-5-ethyl-1-cyclopenta-2,4-dienyl]-N-oxidomethanimine; iron(2+) IUPAC Name: 1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-5-ethylcyclopenta-2,4-dien-1-yl]-N-oxidomethanimine; iron(2+) Traditional Name: ferrous (E)-[2-bis(4-methoxy-3,5-dimethyl-phenyl)phosphino-5-ethyl-cyclopenta-2,4-dien-1-yl]methylene-oxido-amine Formula: C52H62FeN2O6P2 MolecularWeight: 928.851002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C1C=N[O-])P(C2=CC(=C(C(=C2)C)OC)C)C3=CC(=C(C(=C3)C)OC)C.CCC1=CC=C(C1C=N[O-])P(C2=CC(=C(C(=C2)C)OC)C)C3=CC(=C(C(=C3)C)OC)C.[Fe+2]

Isomeric SMILES

CCC1=CC=C(C1/C=N/[O-])P(C2=CC(=C(C(=C2)C)OC)C)C3=CC(=C(C(=C3)C)OC)C.CCC1=CC=C(C1/C=N/[O-])P(C2=CC(=C(C(=C2)C)OC)C)C3=CC(=C(C(=C3)C)OC)C.[Fe+2]

InChI

InChI=1S/2C26H32NO3P.Fe/c2*1-8-20-9-10-24(23(20)15-27-28)31(21-11-16(2)25(29-6)17(3)12-21)22-13-18(4)26(30-7)19(5)14-22;/h2*9-15,23,28H,8H2,1-7H3;/q;;+2/p-2/b2*27-15+;