Molecular Structure:
CAS No.:
140942-13-8
Product Name.:
CCD No.:CCD00179955
Formula:C32 H18 N6 O14 S4 . 4 Na
MolWeight:930.746
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| Product Name： | QUINOBENE |
| CAS： | 140942-13-8 |
| English Synonyms： | QUINOBENE |
| MDL Number.： | MFCD00916674 |
| H bond acceptor： | 20 |
| H bond donor： | 2 |
| Smile： | c1cc2c(cc(c(c2nc1)O)/N=N/c3ccc(c(c3)S(=O)(=O)[O-])/C=C/c4ccc(cc4S(=O)(=O)[O-])/N=N/c5cc(c6cccnc6c5O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChi： | InChI=1S/C32H22N6O14S4.4Na/c39-31-23(15-27(55(47,48)49)21-3-1-11-33-29(21)31)37-35-19-9-7-17(25(13-19)53(41,42)43)5-6-18-8-10-20(14-26(18)54(44,45)46)36-38-24-16-28(56(50,51)52)22-4-2-12-34-30(22)32(24)40;;;;/h1-16,39-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4/b6-5+,37-35+,38-36+;;;; |
| InChiKey： | InChIKey=JBISMGFDJQAWEF-ULVSVMGDSA-J |
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