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

Systemtic Name: [2-bis(4-methoxy-3,5-dimethyl-phenyl)phosphanyl-5-ethyl-cyclopenta-2,4-dien-1-yl]methanolate; iron(2+) Openeye Name: ferrous [2-bis(4-methoxy-3,5-dimethyl-phenyl)phosphanyl-5-ethyl-cyclopenta-2,4-dien-1-yl]methanolate CAS Name: [2-bis(4-methoxy-3,5-dimethylphenyl)phosphino-5-ethyl-1-cyclopenta-2,4-dienyl]methanolate; iron(2+) IUPAC Name: [2-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-5-ethylcyclopenta-2,4-dien-1-yl]methanolate; iron(2+) Traditional Name: ferrous [2-bis(4-methoxy-3,5-dimethyl-phenyl)phosphino-5-ethyl-cyclopenta-2,4-dien-1-yl]methanolate Formula: C52H64FeO6P2 MolecularWeight: 902.853482

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/2C26H32O3P.Fe/c2*1-8-20-9-10-24(23(20)15-27)30(21-11-16(2)25(28-6)17(3)12-21)22-13-18(4)26(29-7)19(5)14-22;/h2*9-14,23H,8,15H2,1-7H3;/q2*-1;+2