| Properties | Image |
|---|
| MNX_ID | MNXM1173870 |
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| reference | envipathM:...4ca8e0dab6d2 |
| formula | C19H19ClNO7 |
| global charge | -1 |
| mol weight | 408.814 |
| InChIKey | DNVGWDRWZAPXJQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C19H20ClNO7/c1-19(2,18(26)27)28-11-5-3-10(4-6-11)7-8-21-17(25)12-9-13(22)14(20)16(24)15(12)23/h3-6,9,22-24H,7-8H2,1-2H3,(H,21,25)(H,26,27)/p-1 |
| SMILES | CC(C)(OC1=CC=C(CCNC(=O)C2=C(O)C(O)=C(Cl)C(O)=C2)C=C1)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C19H20ClNO7/c1-19(2,18(26)27)28-11-5-3-10(4-6-11)7-8-21-17(25)12-9-13(22)14(20)16(24)15(12)23/h3-6,9,22-24H,7-8H2,1-2H3,(H,21,25)(H,26,27) |
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| SMILES (mnx) | [CH3:1][C:19]([CH3:2])([C:18](=[O:26])[OH:27])[O:28][C:11]1=[CH:6][CH:4]=[C:10]([CH2:7][CH2:8][N:21]=[C:17]([C:12]2=[CH:9][C:13]([OH:22])=[C:14]([Cl:20])[C:16]([OH:24])=[C:15]2[OH:23])[OH:25])[CH:3]=[CH:5]1 |
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