| SpectraBase Spectrum ID |
DG5sMHBjLQU |
| Name |
4-[4-carbomethoxy-2-nitro-6-(propylthio)phenyl]-3-nitro-5-(propylthio)benzoic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H24N2O8S2 |
| InChI |
InChI=1S/C22H24N2O8S2/c1-5-7-33-17-11-13(21(25)31-3)9-15(23(27)28)19(17)20-16(24(29)30)10-14(22(26)32-4)12-18(20)34-8-6-2/h9-12H,5-8H2,1-4H3 |
| InChIKey |
QOKTVONUCSTZOO-UHFFFAOYSA-N |
| Molecular Weight |
508.560 g/mol |
| SMILES |
c1(c(cc(cc1SCCC)C(=O)OC)N(=O)=O)-c1c(cc(cc1SCCC)C(=O)OC)N(=O)=O |
| SPLASH |
splash10-000i-0090030000-b7cfa79ea9b00e219389 |
| Source of Spectrum |
F-68-9586-40 |
| Synonyms |
4-[4-methoxycarbonyl-2-nitro-6-(propylthio)phenyl]-3-nitro-5-(propylthio)benzoic acid methyl ester
methyl 4-(4-methoxycarbonyl-2-nitro-6-propylsulfanyl-phenyl)-3-nitro-5-propylsulfanyl-benzoate |
| Wiley ID |
1573844 |
![4-[4-carbomethoxy-2-nitro-6-(propylthio)phenyl]-3-nitro-5-(propylthio)benzoic acid methyl ester](/api/spectrum/DG5sMHBjLQU/structure.png?h=300&w=458 "4-[4-carbomethoxy-2-nitro-6-(propylthio)phenyl]-3-nitro-5-(propylthio)benzoic acid methyl ester")
