SpectraBase Spectrum ID |
71dknD74c6X |
Name |
Phenyl[4,7,8-tribenzoyl-2,6-bis(tert-butylimino)-2H,6H-1,5-dithiocine-3-yl]methanone |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C42H38N2O4S2 |
InChI |
InChI=1S/C42H38N2O4S2/c1-41(2,3)43-39-31(33(45)27-19-11-7-12-20-27)37(35(47)29-23-15-9-16-24-29)50-40(44-42(4,5)6)32(34(46)28-21-13-8-14-22-28)38(49-39)36(48)30-25-17-10-18-26-30/h7-26H,1-6H3/b37-31-,38-32-,43-39-,44-40- |
InChIKey |
SPERCOAIQZBMFI-SEPMACTRSA-N |
Molecular Weight |
698.896 g/mol |
SMILES |
C(\N=C\1S\C(=C/(\C(S\C(=C/1C(=O)c1ccccc1)C(=O)c1ccccc1)=N\C(C)(C)C)C(=O)c1ccccc1)C(=O)c1ccccc1)(C)(C)C |
SPLASH |
splash10-0a4l-9110000000-e1ea1e9acfd53943a948 |
Source of Spectrum |
F4-41-2735-3g |
Wiley ID |
1672787 |