| Properties | Image |
|---|
| MNX_ID | MNXM42046 |
 |
| reference | keggD:D02936 |
| formula | C26H16N3Na3O10S3 |
| global charge | 0 |
| mol weight | 695.596 |
| InChIKey | ADGGJQPKBDIZMT-IAXIIBAVSA-K |
| InChI | InChI=1S/C26H19N3O10S3.3Na/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-24(26)42(37,38)39;;;/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3/b29-28+;;; |
| SMILES | O=S(=O)([O-])C1=CC2=CC(S(=O)(=O)[O-])=CC(/N=N/C3=CC=C(NC4=CC=CC=C4)C4=C3C=CC=C4S(=O)(=O)[O-])=C2C(O)=C1.[Na+].[Na+].[Na+] |
MNX internals
| InChI (mnx) | InChI=1/C26H19N3O10S3.3Na/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-24(26)42(37,38)39;;;/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/b29-28+;;; |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:16]([NH:27][C:21]2=[C:26]3[C:19](=[C:20](/[N:28]=[N:29]/[C:22]4=[C:25]5[C:15](=[CH:11][C:17]([S:40]([OH:31])(=[O:32])=[O:33])=[CH:13]4)[CH:12]=[C:18]([S:41]([OH:34])(=[O:35])=[O:36])[CH:14]=[C:23]5[OH:30])[CH:9]=[CH:10]2)[CH:7]=[CH:4][CH:8]=[C:24]3[S:42]([OH:37])(=[O:38])=[O:39])[CH:6]=[CH:3]1.[Na+:43].[Na+:44].[Na+:45] |
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