Basic Information |
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Product Name: | BAC-E |
CAS: | 114391-97-8 |
English Synonyms: | BAC-E |
MDL Number.: | MFCD11113172 |
H bond acceptor: | 7 |
H bond donor: | 0 |
Smile: | CCC1C/C(=C\c2ccc(cc2)N=[N+]=[N-])/C(=O)/C(=C/c3ccc(cc3)N=[N+]=[N-])/C1 |
InChi: | InChI=1S/C22H20N6O/c1-2-15-11-18(13-16-3-7-20(8-4-16)25-27-23)22(29)19(12-15)14-17-5-9-21(10-6-17)26-28-24/h3-10,13-15H,2,11-12H2,1H3/b18-13+,19-14+ |
InChiKey: | InChIKey=FGTHNRJXIKCBGC-JIBZRZDWSA-N |
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