| Properties | Image |
|---|
| MNX_ID | MNXM44715 |
 |
| reference | chebi:81892 |
| formula | C31H23BrO3 |
| global charge | 0 |
| mol weight | 523.426 |
| InChIKey | VEUZZDOCACZPRY-UHFFFAOYSA-N |
| InChI | InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2 |
| SMILES | O=C1OC2=C(C=CC=C2)C(O)=C1C1CC(C2=CC=C(C3=CC=C(Br)C=C3)C=C2)CC2=C1C=CC=C2 |
MNX internals
| InChI (mnx) | InChI=1/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2/t23?,27? |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:25]2[C:22](=[CH:5]1)[CH2:17][CH:23]([C:21]1=[CH:12][CH:10]=[C:19]([C:20]3=[CH:14][CH:16]=[C:24]([Br:32])[CH:15]=[CH:13]3)[CH:9]=[CH:11]1)[CH2:18][CH:27]2[C:29]1=[C:30]([OH:33])[C:26]2=[CH:7][CH:3]=[CH:4][CH:8]=[C:28]2[O:35][C:31]1=[O:34] |
|