| Properties | Image |
|---|
| MNX_ID | MNXM103455 |
 |
| reference | chebi:65565 |
| formula | C26H35Br4ClO |
| global charge | 0 |
| mol weight | 718.634 |
| InChIKey | RWUQIKIJRXVZFL-ZSCBFHBVSA-N |
| InChI | InChI=1S/C26H35Br4ClO/c1-15-6-7-20-25(4,18(15)13-16-12-17(27)14-19(28)23(16)32)10-9-22(30)26(20,5)11-8-21(29)24(2,3)31/h12,14,18,20-22,32H,1,6-11,13H2,2-5H3/t18-,20+,21?,22-,25+,26-/m1/s1 |
| SMILES | C=C1CC[C@@H]2[C@@](C)(CCC(Br)C(C)(C)Cl)[C@H](Br)CC[C@@]2(C)[C@@H]1CC1=CC(Br)=CC(Br)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C26H35Br4ClO/c1-15-6-7-20-25(4,18(15)13-16-12-17(27)14-19(28)23(16)32)10-9-22(30)26(20,5)11-8-21(29)24(2,3)31/h12,14,18,20-22,32H,1,6-11,13H2,2-5H3/t18-,20+,21?,22-,25+,26-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:15]1[CH2:6][CH2:7][C@H:20]2[C@@:25]([CH3:4])([CH2:10][CH2:9][C@@H:22]([Br:30])[C@:26]2([CH3:5])[CH2:11][CH2:8][CH:21]([C:24]([CH3:2])([CH3:3])[Cl:31])[Br:29])[C@@H:18]1[CH2:13][C:16]1=[CH:12][C:17]([Br:27])=[CH:14][C:19]([Br:28])=[C:23]1[OH:32] |
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