![[3]Dendralene [1,3-Bis(4,5-dicarbomethoxydithiol-2-ylidene)-2-(1,3-diselenolidene)propanal]](/api/spectrum/3qWoi7m9JPc/structure.png?h=300&w=458 "[3]Dendralene [1,3-Bis(4,5-dicarbomethoxydithiol-2-ylidene)-2-(1,3-diselenolidene)propanal]")
| SpectraBase Compound ID | 3UFKHkostlH |
|---|---|
| InChI | InChI=1S/C21H16O9S4Se2/c1-27-16(23)12-13(17(24)28-2)32-11(31-12)7-9(21-35-5-6-36-21)10(8-22)20-33-14(18(25)29-3)15(34-20)19(26)30-4/h5-8H,1-4H3 |
| InChIKey | OCKBWKABRHWOQD-UHFFFAOYSA-N |
| Mol Weight | 698.5 g/mol |
| Molecular Formula | C21H16O9S4Se2 |
| Exact Mass | 699.800761 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3qWoi7m9JPc |
|---|---|
| Name | [3]Dendralene [1,3-Bis(4,5-dicarbomethoxydithiol-2-ylidene)-2-(1,3-diselenolidene)propanal] |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H16O9S4Se2 |
| InChI | InChI=1S/C21H16O9S4Se2/c1-27-16(23)12-13(17(24)28-2)32-11(31-12)7-9(21-35-5-6-36-21)10(8-22)20-33-14(18(25)29-3)15(34-20)19(26)30-4/h5-8H,1-4H3 |
| InChIKey | OCKBWKABRHWOQD-UHFFFAOYSA-N |
| Molecular Weight | 698.534 g/mol |
| SMILES | C1(=C(SC(S1)=C(C(=C1[Se]C=C[Se]1)C=C1SC(C(=O)OC)=C(S1)C(=O)OC)C=O)C(=O)OC)C(=O)OC |
| SPLASH | splash10-03dj-0911100000-aa2b4dd3fcbd60b06394 |
| Source of Spectrum | J-66-7763-20 |
| Synonyms | 2-[3-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-2-(1,3-diselenol-2-ylidene)-4-oxobutylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Dimethyl 2-[3-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-2-(1,3-diselenol-2-ylidene)-4-oxobutylidene]-1,3-dithiole-4,5-dicarboxylate Dimethyl 2-[3-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-2-(1,3-diselenol-2-ylidene)-4-oxo-butylidene]-1,3-dithiole-4,5-dicarboxylate Dimethyl 2-[3-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-2-(1,3-diselenol-2-ylidene)-4-oxidanylidene-butylidene]-1,3-dithiole-4,5-dicarboxylate |
| Wiley ID | 1568427 |