Iron, tricarbonyl[(6,7,9,10-.eta.)-1,1a,4,4a,4b,5,8,8a,8b,8c-decahydro-1,4: 5,8-diethenobenzo[3,4]cyclobuta[1,2-a]cyclopropa[c]cycloheptene]-, stereoisomer

SpectraBase Compound ID	4f4cWB7uTe3
InChI	InChI=1S/C18H18.3CO.Fe/c1-3-10-4-2-9(1)14-15(10)18-16(14)11-5-7-12-13(8-6-11)17(12)18;3*1-2;/h1-18H;;;;/t9-,10-,11-,12-,13+,14-,15-,16+,17-,18-;;;;/m1..../s1
InChIKey	BNZNLHPZFFTKIC-SNMBKNAJSA-N Google Search
Mol Weight	374.22 g/mol
Molecular Formula	C21H18FeO3
Exact Mass	374.06053 g/mol

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SpectraBase Spectrum ID	3adS8TiCVeM
Name	Iron, tricarbonyl[(6,7,9,10-.eta.)-1,1a,4,4a,4b,5,8,8a,8b,8c-decahydro-1,4: 5,8-diethenobenzo[3,4]cyclobuta[1,2-a]cyclopropa[c]cycloheptene]-, stereoisomer
CAS Registry Number	67870-44-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H18FeO3
InChI	InChI=1S/C18H18.3CO.Fe/c1-3-10-4-2-9(1)14-15(10)18-16(14)11-5-7-12-13(8-6-11)17(12)18;3*1-2;/h1-18H;;;;/t9-,10-,11-,12-,13+,14-,15-,16+,17-,18-;;;;/m1..../s1
InChIKey	BNZNLHPZFFTKIC-SNMBKNAJSA-N
Molecular Weight	374.217 g/mol
SMILES	[C@]12([Fe]34([C@]2([C@]2([C@]5([C@]6([C@@]7([C@@]8(C=C[C@](C=C[C@]78[H])([C@]6([C@@]5([C@]1([C@]4([C@]32[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])(C#[O])(C#[O])C#[O])[H]
SPLASH	splash10-00lu-0769000000-2127dde6f939e8343928
Source of Spectrum	K-111-2890-0
Synonyms	1,4:5,8-diethenobenzo[3,4]cyclobuta[1,2-a]cyclopropa[c]cycloheptene, 1,1a,4,4a,4b,5,8,8a,8b,8c-decahydro-, iron complex, (1.alpha.,1a.beta.,4.alpha.,4a.alpha.,4b.beta.,5.alpha.,8.alpha.,8a.beta.,8b.alpha.,8c.beta.)- 7,7,7-tris(hydroxymethyl)-7-ferranonacyclo[12.3.2.0(2,12).0(3,11).0(4,8).0(5,7).0(6,10).0(7,9).0(13,15)]nonadeca-16,18-diene TRICARBONYL(5-6:17-18-N-HEXACYCLO[9.3.2.2(4,7).0(2,9).0(3,8).0(10,12)]OCTADECA-5,13,15,17-TETRAEN)IRON
Wiley ID	1356625