Molecule:100968

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Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	n/a
Trivialname	n/a
Exact mass	810.045231308
Molecular formula	C31H24F6FeN6O6S2
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

100968

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InChI	1S/C27H21N5.C2H3N.2CHF3O3S.Fe/c1-27(24-14-3-6-18-29-24,25-15-4-7-19-30-25)26-16-9-13-23(32-26)22-12-8-11-21(31-22)20-10-2-5-17-28-20;1-2-3;2*2-1(3,4)8(5,6)7;/h2-19H,1H3;1H3;2*(H,5,6,7);/q;;;;+2/p-2
InChI-Key	NIRWJCRVFQKYDZ-UHFFFAOYSA-L
SMILES	C1C=C2C3C=CC=C4C5C=CC=C6C7(C8C=CC=CN=8[Fe+2](N#CC)(N8C7=CC=CC=8)(N=56)(N=34)N2=CC=1)C.FC(S([O-])(=O)=O)(F)F.FC(S([O-])(=O)=O)(F)F

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