Molecule

nfdi4chem-mol5388 (Unknown Molecule)

Chemical Information

Molecular Image
InChI InChI=1S/C51H55BF2N10O8S2.K/c1-34-27-36(3)63-50(34)49(51-35(2)28-37(4)64(51)52(63,53)54)40-11-21-46(22-12-40)71-31-44-30-62(60-58-44)23-24-69-25-26-70-32-47(65)55-41-13-7-38(8-14-41)29-48(59-72-74(66,67)68)73-33-39-9-15-42(16-10-39)56-57-43-17-19-45(20-18-43)61(5)6;/h7-22,27-28,30H,23-26,29,31-33H2,1-6H3,(H,55,65)(H,66,67,68);/q;+1/p-1/b57-56+,59-48-;
SMILES CC1=CC(C)=[N+]2C1=C(C1=CC=C(OCC3=CN(CCOCCOCC(=O)NC4=CC=C(C/C(=N/OS(=O)(=O)[O-])SCC5=CC=C(/N=N/C6=CC=C(N(C)C)C=C6)C=C5)C=C4)N=N3)C=C1)C1=C(C)C=C(C)N1[B-]2(F)F.[K+]
InChI Key BXDUCKWQNZDYCH-DISCXIJYSA-M

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol5388
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.