| Properties | Image |
|---|
| MNX_ID | MNXM47292 |
 |
| reference | chebi:31419 |
| formula | C40H38ClNO5 |
| global charge | 0 |
| mol weight | 648.199 |
| InChIKey | PXZFKAKWSHBDCP-UHFFFAOYSA-N |
| InChI | InChI=1S/C20H24ClNO.C20H14O4/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22;21-18-11-10-14(12-17(18)13-6-2-1-3-7-13)19(22)15-8-4-5-9-16(15)20(23)24/h1,3-4,7-12,20H,2,5-6,13-16H2;1-12,21H,(H,23,24) |
| SMILES | ClC1=CC=C(C(OCCN2CCCCC2)C2=CC=CC=C2)C=C1.O=C(O)C1=CC=CC=C1C(=O)C1=CC(C2=CC=CC=C2)=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H24ClNO.C20H14O4/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22;21-18-11-10-14(12-17(18)13-6-2-1-3-7-13)19(22)15-8-4-5-9-16(15)20(23)24/h1,3-4,7-12,20H,2,5-6,13-16H2;1-12,21H,(H,23,24)/t20?; |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][CH:7]=[C:17]([CH:20]([C:18]2=[CH:10][CH:12]=[C:19]([Cl:21])[CH:11]=[CH:9]2)[O:23][CH2:16][CH2:15][N:22]2[CH2:13][CH2:5][CH2:2][CH2:6][CH2:14]2)[CH:8]=[CH:4]1.[CH:24]1=[CH:25][CH:29]=[C:36]([C:40]2=[C:41]([OH:44])[CH:34]=[CH:33][C:37]([C:42]([C:38]3=[CH:31][CH:27]=[CH:28][CH:32]=[C:39]3[C:43](=[O:46])[OH:47])=[O:45])=[CH:35]2)[CH:30]=[CH:26]1 |
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