| Properties | Image |
| MNX_ID | MNXM1129434 |
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| reference | chebi:174871 |
| formula | C18H20O4 |
| global charge | 0 |
| mol weight | 300.354 |
| InChIKey | PGHCYQUSYHWJAI-NOPLWHKLSA-N |
| InChI | InChI=1S/C18H20O4/c1-4-5-6-7-8-9-10-11-12-13-18(22-17(3)20)14-15-21-16(2)19/h4-5,10-13,18H,14-15H2,1-3H3/b5-4+,11-10+,13-12+ |
| SMILES | C/C=C/C#CC#C/C=C/C=C/C(CCOC(C)=O)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C18H20O4/c1-4-5-6-7-8-9-10-11-12-13-18(22-17(3)20)14-15-21-16(2)19/h4-5,10-13,18H,14-15H2,1-3H3/b5-4+,11-10+,13-12+/t18? |
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| SMILES (mnx) | [CH3:1]/[CH:4]=[CH:5]/[C:6]#[C:7][C:8]#[C:9]/[CH:10]=[CH:11]/[CH:12]=[CH:13]/[CH:18]([CH2:14][CH2:15][O:21][C:16]([CH3:2])=[O:19])[O:22][C:17]([CH3:3])=[O:20] |
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