SpectraBase Spectrum ID |
KO3QgMeJYIA |
Name |
3-Cyclopentene-1-acetic acid, 2-[(2,4-dinitrophenyl)thio]-, trans-(.+-.)- |
CAS Registry Number |
126497-36-7 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C13H12N2O6S |
InChI |
InChI=1S/C13H12N2O6S/c16-13(17)6-8-2-1-3-11(8)22-12-5-4-9(14(18)19)7-10(12)15(20)21/h1,3-5,7-8,11H,2,6H2,(H,16,17)/t8-,11+/m0/s1 |
InChIKey |
FBWQGZQXVLPAPK-GZMMTYOYSA-N |
Molecular Weight |
324.307 g/mol |
SMILES |
OC(C[C@]1([C@](Sc2c(N(=O)=O)cc(N(=O)=O)cc2)(C=CC1)[H])[H])=O |
SPLASH |
splash10-0a6u-9210000000-d4ee92b5babb09b40e42 |
Source of Spectrum |
H-72-1022-25 |
Synonyms |
(1RS,2RS)-trans-2-[(2,4-dinitrophenyl)-thio]cyclopent-3-ene-1-acetic acid
{(1S,2S)-2-[(2,4-dinitrophenyl)sulfanyl]-3-cyclopenten-1-yl}acetic acid |
Wiley ID |
1322852 |