List REACTIVE RED 19…
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CCD No. :
CCD00166451
Product Name : REACTIVE RED 198
CAS No. : 145017-98-7
MDL Number. : MFCD00800436
Formula : C27 H18 Cl N7 O15 S5 . 4 Na
MolWeight : 968.216
Synonyms :
REACTIVE RED 198;
Mol : REACTIVE RED 198.mol
Product Name : REACTIVE RED 198
CAS No. : 145017-98-7
MDL Number. : MFCD00800436
Formula : C27 H18 Cl N7 O15 S5 . 4 Na
MolWeight : 968.216
Synonyms :
REACTIVE RED 198;
Mol : REACTIVE RED 198.mol
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| Product Name： | REACTIVE RED 198 |
| CAS： | 145017-98-7 |
| English Synonyms： | REACTIVE RED 198 |
| MDL Number.： | MFCD00800436 |
| H bond acceptor： | 22 |
| H bond donor： | 3 |
| Smile： | c1cc(cc(c1)S(=O)(=O)[O-])Nc2nc(nc(n2)Cl)Nc3cc(cc4c3c(c(c(c4)S(=O)(=O)[O-])/N=N/c5ccc(cc5)S(=O)(=O)CCS(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChi： | InChI=1S/C27H22ClN7O15S5.4Na/c28-25-31-26(29-16-2-1-3-18(12-16)53(42,43)44)33-27(32-25)30-20-13-19(54(45,46)47)10-14-11-21(55(48,49)50)23(24(36)22(14)20)35-34-15-4-6-17(7-5-15)51(37,38)8-9-52(39,40)41;;;;/h1-7,10-13,36H,8-9H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,29,30,31,32,33);;;;/q;4*+1/p-4/b35-34+;;;; |
| InChiKey： | InChIKey=KMIFZJHHHQJORY-WPWJTNPYSA-J |
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