| SpectraBase Spectrum ID |
8bZnTS94WiY |
| Name |
Benzocycloheptano[2,3,4-I,J]isoquinolin-1,9-diol-N-carboxylic acid, 2,10-dimethoxy-, 2-trichloroethyl(ester) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
501.051270526 u |
| Formula |
C22H22Cl3NO6 |
| InChI |
InChI=1S/C22H22Cl3NO6/c1-30-17-9-12-5-14-19-11(8-18(31-2)20(14)28)3-4-26(21(29)32-10-22(23,24)25)15(19)6-13(12)7-16(17)27/h7-9,15,27-28H,3-6,10H2,1-2H3 |
| InChIKey |
ATIXSXZJHOOXCZ-UHFFFAOYSA-N |
| Molecular Weight |
502.778 g/mol |
| SMILES |
C1C2=C3C(CC4=C1C=C(C(=C4)O)OC)N(CCC3=CC(=C2O)OC)C(=O)OCC(Cl)(Cl)Cl |
![Benzocycloheptano[2,3,4-I,J]isoquinolin-1,9-diol-N-carboxylic acid, 2,10-dimethoxy-, 2-trichloroethyl(ester)](/api/spectrum/8bZnTS94WiY/structure.png?h=300&w=458 "Benzocycloheptano[2,3,4-I,J]isoquinolin-1,9-diol-N-carboxylic acid, 2,10-dimethoxy-, 2-trichloroethyl(ester)")
