(Q82694985)

English

Iron(2+) cyclopenta-2,4-dien-1-ide 2-[(cyclopenta-2,4-dien-1-id-1-yl)(phenyl)phosphanyl]-1-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-ide (3/2/2)

group of stereoisomers with the chemical formula C₅₀H₅₄Fe₃N₂P₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

912.181035488 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₅₀H₅₄Fe₃N₂P₂

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based on heuristic

inferred from SMILES

canonical SMILES

CC(c1c[cH-]cc1P(c1ccccc1)[c-]1cccc1)N(C)C.CC(c1c[cH-]cc1P(c1ccccc1)[c-]1cccc1)N(C)C.[Fe+2].[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H](c1c[cH-]cc1P(c1ccccc1)[c-]1cccc1)N(C)C.C[C@H](c1c[cH-]cc1P(c1ccccc1)[c-]1cccc1)N(C)C.[Fe+2].[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/2C20H22NP.2C5H5.3Fe/c2*1-16(21(2)3)19-14-9-15-20(19)22(18-12-7-8-13-18)17-10-5-4-6-11-17;2*1-2-4-5-3-1;;;/h2*4-16H,1-3H3;2*1-5H;;;/q2*-2;2*-1;3*+2/t2*16-,22?;;;;;/m11...../s1

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InChIKey

HZMMBYQKINSWIT-KATBJRPZSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID30697189

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(Q82694985)

Iron(2+) cyclopenta-2,4-dien-1-ide 2-[(cyclopenta-2,4-dien-1-id-1-yl)(phenyl)phosphanyl]-1-[(1R)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-ide (3/2/2)

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