| Properties | Image |
|---|
| MNX_ID | MNXM744791 |
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| reference | biggM:mdzglc |
| formula | C24H22ClFN3O6 |
| global charge | 1 |
| mol weight | 502.906 |
| InChIKey | ULVPQZCKSQYJQR-UHFFFAOYSA-O |
| InChI | InChI=1S/C24H21ClFN3O6/c1-11-28(23-21(32)19(30)20(31)22(35-23)24(33)34)10-13-9-27-18(14-4-2-3-5-16(14)26)15-8-12(25)6-7-17(15)29(11)13/h2-8,10,19-23,30-32H,9H2,1H3/p+1 |
| SMILES | CC1=[N+](C2OC(C(=O)O)C(O)C(O)C2O)C=C2CN=C(C3=CC=CC=C3F)C3=CC(Cl)=CC=C3N21 |
MNX internals
| InChI (mnx) | InChI=1/C24H21ClFN3O6/c1-11-28(23-21(32)19(30)20(31)22(35-23)24(33)34)10-13-9-27-18(14-4-2-3-5-16(14)26)15-8-12(25)6-7-17(15)29(11)13/h2-8,10,19-23,30-32H,9H2,1H3/t19?,20?,21?,22?,23? |
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| SMILES (mnx) | [CH3:1][C:11]1=[N+:28]([CH:23]2[CH:21]([OH:32])[CH:19]([OH:30])[CH:20]([OH:31])[CH:22]([C:24](=[O:33])[O-:34])[O:35]2)[CH:10]=[C:13]2[CH2:9][N:27]=[C:18]([C:14]3=[CH:4][CH:2]=[CH:3][CH:5]=[C:16]3[F:26])[C:15]3=[C:17]([CH:7]=[CH:6][C:12]([Cl:25])=[CH:8]3)[N:29]12 |
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