| Properties | Image |
MNX_ID | MNXM106597 |
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reference | lipidmapsM:LMFA01090118 |
formula | C19H23BrO2 |
global charge | 0 |
mol weight | 363.295 |
InChIKey | MVCJGXSDCQYJLT-FBMGVBCBSA-N |
InChI | InChI=1S/C19H23BrO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h16,18H,2-4,6,8,10,13,15,17H2,1H3/b18-16+ |
SMILES | COC(=O)CCCC#CC#CCCCCCCC#C/C=C/Br |
MNX internals
InChI (mnx) | InChI=1/C19H23BrO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h16,18H,2-4,6,8,10,13,15,17H2,1H3/b18-16+ |
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SMILES (mnx) | [CH3:1][O:22][C:19]([CH2:17][CH2:15][CH2:13][C:11]#[C:9][C:7]#[C:5][CH2:3][CH2:2][CH2:4][CH2:6][CH2:8][CH2:10][C:12]#[C:14]/[CH:16]=[CH:18]/[Br:20])=[O:21] |
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