| Properties | Image |
|---|
| MNX_ID | MNXM43133 |
 |
| reference | keggD:D07480 |
| formula | C18H12N4Na2O6S2 |
| global charge | 0 |
| mol weight | 490.43 |
| InChIKey | FFWQKRHBTAIZBU-UHFFFAOYSA-L |
| InChI | InChI=1S/C18H14N4O6S2.2Na/c23-29(24,25)9-1-3-11-13(5-9)21-17-8-16-18(7-15(17)19-11)22-14-6-10(30(26,27)28)2-4-12(14)20-16;;/h1-8,11,16,19-20H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2 |
| SMILES | O=S(=O)([O-])C1=CC=C2NC3C=C4N=C5C=C(S(=O)(=O)[O-])C=CC5NC4=CC3=NC2=C1.[Na+].[Na+] |
MNX internals
| InChI (mnx) | InChI=1/C18H14N4O6S2.2Na/c23-29(24,25)9-1-3-11-13(5-9)21-17-8-16-18(7-15(17)19-11)22-14-6-10(30(26,27)28)2-4-12(14)20-16;;/h1-8,11,16,19-20H,(H,23,24,25)(H,26,27,28);;/q;2*+1/t11?,16?;; |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][CH:11]2[C:13](=[N:21][C:17]3=[CH:8][CH:16]4[C:18](=[N:22][C:14]5=[CH:6][C:10]([S:30]([OH:26])(=[O:27])=[O:28])=[CH:2][CH:4]=[C:12]5[NH:20]4)[CH:7]=[C:15]3[NH:19]2)[CH:5]=[C:9]1[S:29]([OH:23])(=[O:24])=[O:25].[Na+:31].[Na+:32] |
|