| Properties | Image |
|---|
| MNX_ID | MNXM46328 |
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| reference | chebi:177426 |
| formula | C29H46Cl2N2O6 |
| global charge | 0 |
| mol weight | 589.601 |
| InChIKey | IDWDXHQLOMJDRU-XNMGPUDCSA-N |
| InChI | InChI=1S/C29H46Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(34)39-22-25(32-29(36)28(30)31)27(35)23-18-20-24(21-19-23)33(37)38/h18-21,25,27-28,35H,2-17,22H2,1H3,(H,32,36)/t25-,27-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C29H46Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(34)39-22-25(32-29(36)28(30)31)27(35)23-18-20-24(21-19-23)33(37)38/h18-21,25,27-28,35H,2-17,22H2,1H3,(H,32,36)/t25-,27-/m1/s1 |
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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][CH2:14][CH2:15][CH2:16][CH2:17][C:26](=[O:34])[O:39][CH2:22][C@H:25]([C@@H:27]([C:23]1=[CH:19][CH:21]=[C:24]([N+:33]([O-:37])=[O:38])[CH:20]=[CH:18]1)[OH:35])[N:32]=[C:29]([CH:28]([Cl:30])[Cl:31])[OH:36] |
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