cyclopenta-1,3-dien-1-yl-bis(3,5-dimethylphenyl)phosphane; iron(2+)

Systemtic Name: cyclopenta-1,3-dien-1-yl-bis(3,5-dimethylphenyl)phosphane; iron(2+) Openeye Name: ferrous cyclopenta-1,3-dien-1-yl-bis(3,5-dimethylphenyl)phosphane CAS Name: 1-cyclopenta-1,3-dienyl-bis(3,5-dimethylphenyl)phosphine; iron(2+) IUPAC Name: cyclopenta-1,3-dien-1-yl-bis(3,5-dimethylphenyl)phosphane; iron(2+) Traditional Name: ferrous cyclopenta-1,3-dien-1-yl-bis(3,5-dimethylphenyl)phosphine Formula: C42H44FeP2 MolecularWeight: 666.591282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)P(C2=CC=C[CH-]2)C3=CC(=CC(=C3)C)C)C.CC1=CC(=CC(=C1)P(C2=CC=C[CH-]2)C3=CC(=CC(=C3)C)C)C.[Fe+2]

Isomeric SMILES

CC1=CC(=CC(=C1)P(C2=CC=C[CH-]2)C3=CC(=CC(=C3)C)C)C.CC1=CC(=CC(=C1)P(C2=CC=C[CH-]2)C3=CC(=CC(=C3)C)C)C.[Fe+2]

InChI

InChI=1S/2C21H22P.Fe/c2*1-15-9-16(2)12-20(11-15)22(19-7-5-6-8-19)21-13-17(3)10-18(4)14-21;/h2*5-14H,1-4H3;/q2*-1;+2