SpectraBase Spectrum ID |
3yfx41AHVFe |
Name |
Benzoic acid, 4-chloro-, 7-(4-nitrophenyl)-2-thioxo-2H-benzoxathiol-5-yl ester |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C20H10ClNO5S2 |
InChI |
InChI=1S/C20H10ClNO5S2/c21-13-5-1-12(2-6-13)19(23)26-15-9-16(18-17(10-15)29-20(28)27-18)11-3-7-14(8-4-11)22(24)25/h1-10H |
InChIKey |
NEVCUGNCRSNUGS-UHFFFAOYSA-N |
Molecular Weight |
443.875 g/mol |
SMILES |
c12c(SC(O2)=S)cc(cc1-c1ccc(N(=O)=O)cc1)OC(c1ccc(cc1)Cl)=O |
SPLASH |
splash10-000i-3900000000-63e5e7161d5c684c5cd9 |
Source of Spectrum |
AD-0-2532-0 |
Synonyms |
4-Chlorobenzoic acid [7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] ester
[7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] 4-chlorobenzoate
[7-(4-nitrophenyl)-2-thioxo-1,3-benzoxathiol-5-yl] 4-chlorobenzoate
[7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] 4-chloranylbenzoate |
Wiley ID |
1430556 |