| Properties | Image |
|---|
| MNX_ID | MNXM44527 |
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| reference | chebi:51887 |
| formula | C24H29BF2N4O5 |
| global charge | 0 |
| mol weight | 502.327 |
| InChIKey | AWACOFBGFAKYPF-UHFFFAOYSA-N |
| InChI | InChI=1S/C24H29BF2N4O5/c1-16-14-17(2)29-20(16)15-19-8-7-18(30(19)25(29,26)27)9-10-21(32)28-13-5-3-4-6-24(35)36-31-22(33)11-12-23(31)34/h7-8,14-15H,3-6,9-13H2,1-2H3,(H,28,32) |
| SMILES | CC1=CC(C)=C2C=C3C=CC(CCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)=[N+]3[B-](F)(F)N12 |
MNX internals
| InChI (mnx) | InChI=1/C24H29BF2N4O5/c1-16-14-17(2)29-20(16)15-19-8-7-18(30(19)25(29,26)27)9-10-21(32)28-13-5-3-4-6-24(35)36-31-22(33)11-12-23(31)34/h7-8,14-15H,3-6,9-13H2,1-2H3,(H,28,32) |
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| SMILES (mnx) | [CH3:1][C:16]1=[C:20]2[CH:15]=[C:19]3[CH:8]=[CH:7][C:18]([CH2:9][CH2:10][C:21](=[N:28][CH2:13][CH2:5][CH2:3][CH2:4][CH2:6][C:24](=[O:35])[O:36][N:31]4[C:22](=[O:33])[CH2:11][CH2:12][C:23]4=[O:34])[OH:32])=[N+:30]3[B-:25]([F:26])([F:27])[N:29]2[C:17]([CH3:2])=[CH:14]1 |
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