![4-[2-(Tetrachlorophthalimido)ethyl]bis[1,2]dithiolo[3,4-b:4',3'-e][1,4]thiazine-3,5-dione](/api/spectrum/LTkNQtySAbp/structure.png?h=300&w=458 "4-[2-(Tetrachlorophthalimido)ethyl]bis[1,2]dithiolo[3,4-b:4',3'-e][1,4]thiazine-3,5-dione")
| SpectraBase Compound ID | BxqvIY3NBXt |
|---|---|
| InChI | InChI=1S/C16H4Cl4N2O4S5/c17-5-3-4(6(18)8(20)7(5)19)12(24)22(11(3)23)2-1-21-9-13(25)28-30-15(9)27-16-10(21)14(26)29-31-16/h1-2H2 |
| InChIKey | NGNIWSVQLBGGIR-UHFFFAOYSA-N |
| Mol Weight | 590.3 g/mol |
| Molecular Formula | C16H4Cl4N2O4S5 |
| Exact Mass | 587.752873 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LTkNQtySAbp |
|---|---|
| Name | 4-[2-(Tetrachlorophthalimido)ethyl]bis[1,2]dithiolo[3,4-b:4',3'-e][1,4]thiazine-3,5-dione |
| Alternate Name(s) | 4-[2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-3H,4H,5H-di[1,2]dithiolo[3,4-b:4,3-e][1,4]thiazine-3,5-dione 4-[2-(4,5,6,7-tetrachloro-1,3-dioxo-2-isoindolyl)ethyl]didithiolo[5,4-a:5',4'-e][1,4]thiazine-3,5-dione 4-[2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)ethyl]didithiolo[5,4-a:5',4'-e][1,4]thiazine-3,5-dione 4-[2-(4,5,6,7-tetrachloro-1,3-dioxo-isoindolin-2-yl)ethyl]didithiolo[5,4-a:5',4'-e][1,4]thiazine-3,5-dione 4-[2-[4,5,6,7-tetrakis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]di[1,2]dithiolo[5,4-a:5',4'-e][1,4]thiazine-3,5-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H4Cl4N2O4S5 |
| InChI | InChI=1S/C16H4Cl4N2O4S5/c17-5-3-4(6(18)8(20)7(5)19)12(24)22(11(3)23)2-1-21-9-13(25)28-30-15(9)27-16-10(21)14(26)29-31-16/h1-2H2 |
| InChIKey | NGNIWSVQLBGGIR-UHFFFAOYSA-N |
| Molecular Weight | 590.330 g/mol |
| SMILES | C1=2SC3=C(N(C2C(SS1)=O)CCN1C(=O)c2c(C1=O)c(c(c(c2Cl)Cl)Cl)Cl)C(SS3)=O |
| SPLASH | splash10-00di-0090060000-40e52565faf66694c243 |
| Source of Spectrum | J-64-5015-11 |
| Wiley ID | 1530631 |