| Properties | Image |
|---|
| MNX_ID | MNXM1181525 |
 |
| reference | envipathM:...3d7069027293 |
| formula | C25H20ClO6 |
| global charge | -1 |
| mol weight | 451.882 |
| InChIKey | JSFVDQFIKSEKBP-UHFFFAOYSA-M |
| InChI | InChI=1S/C25H21ClO6/c1-16(15-27)22(17-10-12-19(26)13-11-17)25(30)32-23(24(28)29)18-6-5-9-21(14-18)31-20-7-3-2-4-8-20/h2-16,22-23H,1H3,(H,28,29)/p-1 |
| SMILES | CC(C=O)C(C(=O)OC(C(=O)[O-])C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H21ClO6/c1-16(15-27)22(17-10-12-19(26)13-11-17)25(30)32-23(24(28)29)18-6-5-9-21(14-18)31-20-7-3-2-4-8-20/h2-16,22-23H,1H3,(H,28,29)/t16?,22?,23? |
 |
| SMILES (mnx) | [CH3:1][CH:16]([CH:15]=[O:27])[CH:22]([C:17]1=[CH:11][CH:13]=[C:19]([Cl:26])[CH:12]=[CH:10]1)[C:25](=[O:30])[O:32][CH:23]([C:18]1=[CH:14][C:21]([O:31][C:20]2=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]2)=[CH:9][CH:5]=[CH:6]1)[C:24](=[O:28])[OH:29] |
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