| Properties | Image |
|---|
| MNX_ID | MNXM157668 |
 |
| reference | chebi:52869 |
| formula | C33H17Cl2N2O13 |
| global charge | -5 |
| mol weight | 720.406 |
| InChIKey | UMJJHLJWFYINGG-UHFFFAOYSA-I |
| InChI | InChI=1S/C33H22Cl2N2O13/c34-20-7-18-25(9-23(20)38)49-26-10-24(39)21(35)8-19(26)33(18)17-3-1-14(5-16(17)32(47)50-33)31(46)36-15-2-4-22(27(6-15)48-13-30(44)45)37(11-28(40)41)12-29(42)43/h1-10,38-39H,11-13H2,(H,36,46)(H,40,41)(H,42,43)(H,44,45)/p-5 |
| SMILES | O=C([O-])COC1=CC(NC(=O)C2=CC3=C(C=C2)C2(OC3=O)C3=CC(Cl)=C([O-])C=C3OC3=C2C=C(Cl)C([O-])=C3)=CC=C1N(CC(=O)[O-])CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C33H22Cl2N2O13/c34-20-7-18-25(9-23(20)38)49-26-10-24(39)21(35)8-19(26)33(18)17-3-1-14(5-16(17)32(47)50-33)31(46)36-15-2-4-22(27(6-15)48-13-30(44)45)37(11-28(40)41)12-29(42)43/h1-10,38-39H,11-13H2,(H,36,46)(H,40,41)(H,42,43)(H,44,45) |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:17]2=[C:16]([CH:5]=[C:14]1[C:31](=[N:36][C:15]1=[CH:6][C:27]([O:48][CH2:13][C:30](=[O:44])[OH:45])=[C:22]([N:37]([CH2:11][C:28](=[O:40])[OH:41])[CH2:12][C:29](=[O:42])[OH:43])[CH:4]=[CH:2]1)[OH:46])[C:32](=[O:47])[O:50][C:33]21[C:18]2=[CH:7][C:20]([Cl:34])=[C:23]([OH:38])[CH:9]=[C:25]2[O:49][C:26]2=[CH:10][C:24]([OH:39])=[C:21]([Cl:35])[CH:8]=[C:19]21 |
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