SpectraBase Spectrum ID |
B6YeGFi4Sv1 |
Name |
Ethyl 7-[(3',5'-di-tert-butylbenzyl)sulfonylmethyl]biphenylene-2-carboxylate |
Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C31H36O4S |
InChI |
InChI=1S/C31H36O4S/c1-8-35-29(32)22-10-12-26-25-11-9-20(15-27(25)28(26)16-22)18-36(33,34)19-21-13-23(30(2,3)4)17-24(14-21)31(5,6)7/h9-17H,8,18-19H2,1-7H3 |
InChIKey |
JSDFHHYPRHVBRG-UHFFFAOYSA-N |
Molecular Weight |
504.685 g/mol |
SMILES |
c12-c3cc(CS(=O)(=O)Cc4cc(C(C)(C)C)cc(c4)C(C)(C)C)ccc3-c1ccc(c2)C(=O)OCC |
SPLASH |
splash10-0zfr-0090100000-de1f7f94a6ba8c857b93 |
Source of Spectrum |
QA-44-219-15 |
Synonyms |
Ethyl 7-{[(3,5-ditert-butylbenzyl)sulfonyl]methyl}-2-biphenylenecarboxylate |
Wiley ID |
862361 |