LFH
dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethanethiolatato-1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+) sulphide
Created: | 2019-08-12 |
Last modified: | 2020-07-08 |
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Chemical Details | |
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Formal Charge | 1 |
Atom Count | 23 |
Chiral Atom Count | 0 |
Bond Count | 25 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethanethiolatato-1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+) sulphide |
Formula | C7 H5 Fe2 N3 O3 S3 |
Molecular Weight | 387.018 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | S.O=C1[Fe](C#N)(C#[O+])[S-]2CNCS[Fe]12(C#N)C#[O+] |
SMILES | OpenEye OEToolkits | 2.0.7 | C1NC[S]2[Fe]3([S-]1[Fe]2(C3=O)(C#N)(C#[O+])[S])(C#N)C#[O+] |
Canonical SMILES | CACTVS | 3.385 | S.O=C1[Fe](C#N)(C#[O+])[S-]2CNCS[Fe]12(C#N)C#[O+] |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C1NC[S]2[Fe]3([S-]1[Fe]2(C3=O)(C#N)(C#[O+])[S])(C#N)C#[O+] |
InChI | InChI | 1.03 | InChI=1S/C2H6NS2.2CN.3CO.2Fe.H2S/c4-1-3-2-5;5*1-2;;;/h3-4H,1-2H2;;;;;;;;1H2/q;;;;2*+1;;+1;/p-2 |
InChIKey | InChI | 1.03 | VVXMKEXCTCBOII-UHFFFAOYSA-L |