| Properties | Image |
MNX_ID | MNXM168781 |
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reference | sabiorkM:26240 |
formula | C20H31NO4 |
global charge | 0 |
mol weight | 349.471 |
InChIKey | ZBBNFJIVAHGZKA-UHFFFAOYSA-N |
InChI | InChI=1S/C20H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(22)25-19-16-14-18(15-17-19)21(23)24/h14-17H,2-13H2,1H3 |
SMILES | CCCCCCCCCCCCCC(=O)OC1=CC=C([N+](=O)[O-])C=C1 |
MNX internals
InChI (mnx) | InChI=1/C20H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(22)25-19-16-14-18(15-17-19)21(23)24/h14-17H,2-13H2,1H3 |
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SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:20](=[O:22])[O:25][C:19]1=[CH:17][CH:15]=[C:18]([N+:21]([O-:23])=[O:24])[CH:14]=[CH:16]1 |
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