| Properties | Image |
|---|
| MNX_ID | MNXM1179586 |
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| reference | envipathM:...510d45ba4e3b |
| formula | C22H24ClNO7 |
| global charge | 0 |
| mol weight | 449.887 |
| InChIKey | CDNJFNQXEZNTRQ-ZVHZXABRSA-N |
| InChI | InChI=1S/C22H24ClNO7/c1-14(19(25)20(26)15-8-10-17(23)11-9-15)24-31-12-16-6-4-5-7-18(16)22(28,13-29-2)21(27)30-3/h4-11,20,26,28H,12-13H2,1-3H3/b24-14+ |
| SMILES | COCC(O)(C(=O)OC)C1=C(CO/N=C(\C)C(=O)C(O)C2=CC=C(Cl)C=C2)C=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C22H24ClNO7/c1-14(19(25)20(26)15-8-10-17(23)11-9-15)24-31-12-16-6-4-5-7-18(16)22(28,13-29-2)21(27)30-3/h4-11,20,26,28H,12-13H2,1-3H3/b24-14+/t20?,22? |
 |
| SMILES (mnx) | [CH3:1]/[C:14]([C:19]([CH:20]([C:15]1=[CH:9][CH:11]=[C:17]([Cl:23])[CH:10]=[CH:8]1)[OH:26])=[O:25])=[N:24]\[O:31][CH2:12][C:16]1=[CH:6][CH:4]=[CH:5][CH:7]=[C:18]1[C:22]([CH2:13][O:29][CH3:2])([C:21](=[O:27])[O:30][CH3:3])[OH:28] |
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