| Properties | Image |
|---|
| MNX_ID | MNXM1173730 |
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| reference | envipathM:...a19c99bc3a1e |
| formula | C16H11Cl3F2N3O6 |
| global charge | -1 |
| mol weight | 485.634 |
| InChIKey | RXXFWXGTUCACOE-UHFFFAOYSA-M |
| InChI | InChI=1S/C16H12Cl3F2N3O6/c1-23-5-7(11(22-23)13(20)21)14(26)24(30-2)16(29,15(27)28)12(25)10-8(18)3-6(17)4-9(10)19/h3-5,13,29H,1-2H3,(H,27,28)/p-1 |
| SMILES | CON(C(=O)C1=CN(C)N=C1C(F)F)C(O)(C(=O)[O-])C(=O)C1=C(Cl)C=C(Cl)C=C1Cl |
MNX internals
| InChI (mnx) | InChI=1/C16H12Cl3F2N3O6/c1-23-5-7(11(22-23)13(20)21)14(26)24(30-2)16(29,15(27)28)12(25)10-8(18)3-6(17)4-9(10)19/h3-5,13,29H,1-2H3,(H,27,28)/t16? |
 |
| SMILES (mnx) | [CH3:1][N:23]1[CH:5]=[C:7]([C:14]([N:24]([C:16]([C:12]([C:10]2=[C:8]([Cl:18])[CH:3]=[C:6]([Cl:17])[CH:4]=[C:9]2[Cl:19])=[O:25])([C:15](=[O:27])[OH:28])[OH:29])[O:30][CH3:2])=[O:26])[C:11]([CH:13]([F:20])[F:21])=[N:22]1 |
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