| Properties | Image |
|---|
| MNX_ID | MNXM161515 |
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| reference | chebi:78720 |
| formula | C26H27ClN2O7 |
| global charge | 0 |
| mol weight | 514.962 |
| InChIKey | OYSPNPFSARQWAC-UHFFFAOYSA-N |
| InChI | InChI=1S/C26H27N2O3.ClO4/c1-6-30-26(29)20-10-8-7-9-19(20)25-21-13-11-17(27(2)3)15-23(21)31-24-16-18(28(4)5)12-14-22(24)25;2-1(3,4)5/h7-16H,6H2,1-5H3;/q+1;-1 |
| SMILES | CCOC(=O)C1=C(C2=C3C=CC(=[N+](C)C)C=C3OC3=C2C=CC(N(C)C)=C3)C=CC=C1.[O-][Cl+3]([O-])([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C26H27N2O3.ClO4/c1-6-30-26(29)20-10-8-7-9-19(20)25-21-13-11-17(27(2)3)15-23(21)31-24-16-18(28(4)5)12-14-22(24)25;2-1(3,4)5/h7-16H,6H2,1-5H3;/q+1;-1/p+1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][O:30][C:26]([C:20]1=[CH:10][CH:8]=[CH:7][CH:9]=[C:19]1[C:25]1=[C:22]2[CH:14]=[CH:12][C:18]([N:28]([CH3:4])[CH3:5])=[CH:16][C:24]2=[O+:31][C:23]2=[C:21]1[CH:13]=[CH:11][C:17]([NH+:27]([CH3:2])[CH3:3])=[CH:15]2)=[O:29].[Cl+3:32]([O-:33])([O-:34])([O-:35])[O-:36] |
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