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Molecule : BJ8

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/8Fe.9S
2	InChIKey	InChI	1.03	CSVVAMDLRWBOEA-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	S1[Fe]S[Fe]1.S2[Fe]S[Fe]2.S3[Fe]S[Fe]3S[Fe]4S[Fe]S4
4	SMILES	OpenEye OEToolkits	2.0.6	S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71
5	Canonical SMILES	CACTVS	3.385	S1[Fe]S[Fe]1.S2[Fe]S[Fe]2.S3[Fe]S[Fe]3S[Fe]4S[Fe]S4
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71