| Properties | Image |
MNX_ID | MNXM22673 |
 |
reference | lipidmapsM:LMFA05000020 |
formula | C12H22O |
global charge | 0 |
mol weight | 182.307 |
InChIKey | JUDKGQZMLJXRJX-BSWSSELBSA-N |
InChI | InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,13H,2-4,9-12H2,1H3/b6-5+,8-7+ |
SMILES | CCCC/C=C/C=C/CCCCO |
MNX internals
InChI (mnx) | InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,13H,2-4,9-12H2,1H3/b6-5+,8-7+ |
 |
SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4]/[CH:5]=[CH:6]/[CH:7]=[CH:8]/[CH2:9][CH2:10][CH2:11][CH2:12][OH:13] |
|