SpectraBase Spectrum ID |
EJL16cpaoeO |
Name |
6-[(2-Aminophenyl)sulfanyl]-1H,3H-benzo[de]isochromene-1,3-dione |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
321.045964389 u |
Formula |
C18H11NO3S |
InChI |
InChI=1S/C18H11NO3S/c19-13-6-1-2-7-15(13)23-14-9-8-12-16-10(14)4-3-5-11(16)17(20)22-18(12)21/h1-9H,19H2 |
InChIKey |
INCMZXBJTDCMCP-UHFFFAOYSA-N |
Molecular Weight |
321.350 g/mol |
SMILES |
C1(SC2=C3C4=C(C=C2)C(=O)OC(C4=CC=C3)=O)=C(C=CC=C1)N |