Tioclomarol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002585
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA002585 contains the MS mass spectrum of Tioclomarol with the InChIkey WRGOVNKNTPWHLZ-UHFFFAOYSA-N.
Source: Tioclomarol
Chemical Info
| InChI | InChI=1S/C22H16Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15-16,25-26H,11H2 |
|---|---|
| SMILES | Clc(c4)ccc(c4)C(O)CC(c(c3)sc(Cl)c3)C(C(=O)1)=C(O)c(c2)c(ccc2)O1 |
| InChI Key | WRGOVNKNTPWHLZ-UHFFFAOYSA-N |
| Molecular Formula | C22H16Cl2O4S |
| Exact Mass | 446.015 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | dd708182-921d-4c78-939d-777f4e556aa5 |
| Package id | msbnk-waters-wa002585 |
| Resource type | HTML |
| State | active |