1-[[2-bis(4-methoxy-3,5-dimethyl-phenyl)phosphanyl-5-ethyl-cyclopentyl]methoxy]-N-propan-2-yl-methanimidate; iron(2+)

Systemtic Name: 1-[[2-bis(4-methoxy-3,5-dimethyl-phenyl)phosphanyl-5-ethyl-cyclopentyl]methoxy]-N-propan-2-yl-methanimidate; iron(2+) Openeye Name: ferrous 1-[[2-bis(4-methoxy-3,5-dimethyl-phenyl)phosphanyl-5-ethyl-cyclopentyl]methoxy]-N-isopropyl-methanimidate CAS Name: 1-[[2-bis(4-methoxy-3,5-dimethylphenyl)phosphino-5-ethylcyclopentyl]methoxy]-N-propan-2-ylmethanimidate; iron(2+) IUPAC Name: 1-[[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-5-ethylcyclopentyl]methoxy]-N-propan-2-ylmethanimidate; iron(2+) Traditional Name: ferrous 1-[[2-bis(4-methoxy-3,5-dimethyl-phenyl)phosphino-5-ethyl-cyclopentyl]methoxy]-N-isopropyl-formimidate Formula: C60H86FeN2O8P2 MolecularWeight: 1081.125962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(C1COC(=NC(C)C)[O-])P(C2=CC(=C(C(=C2)C)OC)C)C3=CC(=C(C(=C3)C)OC)C.CCC1CCC(C1COC(=NC(C)C)[O-])P(C2=CC(=C(C(=C2)C)OC)C)C3=CC(=C(C(=C3)C)OC)C.[Fe+2]

Isomeric SMILES

CCC1CCC(C1COC(=NC(C)C)[O-])P(C2=CC(=C(C(=C2)C)OC)C)C3=CC(=C(C(=C3)C)OC)C.CCC1CCC(C1COC(=NC(C)C)[O-])P(C2=CC(=C(C(=C2)C)OC)C)C3=CC(=C(C(=C3)C)OC)C.[Fe+2]

InChI

InChI=1S/2C30H44NO4P.Fe/c2*1-10-23-11-12-27(26(23)17-35-30(32)31-18(2)3)36(24-13-19(4)28(33-8)20(5)14-24)25-15-21(6)29(34-9)22(7)16-25;/h2*13-16,18,23,26-27H,10-12,17H2,1-9H3,(H,31,32);/q;;+2/p-2