Basic Information |
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Product Name: | TRISODIUM HYDROGEN 4-[[5-[[4-CHLORO-6-[(4-SULPHONATOPHENYL)AMINO]-1,3,5-TRIAZIN-2-YL]AMINO]-2-SULPHONATOPHENYL]AZO]-4,5-DIHYDRO-5-OXO-1-(4-SULPHONATOPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE |
CAS: | 70865-25-7 |
English Synonyms: | TRISODIUM HYDROGEN 4-[[5-[[4-CHLORO-6-[(4-SULPHONATOPHENYL)AMINO]-1,3,5-TRIAZIN-2-YL]AMINO]-2-SULPHONATOPHENYL]AZO]-4,5-DIHYDRO-5-OXO-1-(4-SULPHONATOPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE |
MDL Number.: | MFCD23160561 |
H bond acceptor: | 21 |
H bond donor: | 3 |
Smile: | c1cc(ccc1Nc2nc(nc(n2)Cl)Nc3ccc(c(c3)/N=N/C4C(=NN(C4=O)c5ccc(cc5)S(=O)(=O)[O-])C(=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
InChi: | InChI=1S/C25H18ClN9O12S3.3Na/c26-23-29-24(27-12-1-6-15(7-2-12)48(39,40)41)31-25(30-23)28-13-3-10-18(50(45,46)47)17(11-13)32-33-19-20(22(37)38)34-35(21(19)36)14-4-8-16(9-5-14)49(42,43)44;;;/h1-11,19H,(H,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,27,28,29,30,31);;;/q;3*+1/p-3/b33-32+;;; |
InChiKey: | InChIKey=LRSKGDUMNPFUKU-KGMXHPFTSA-K |
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