SpectraBase Spectrum ID |
5QlGFqy1VRi |
Name |
N-Methyl-2,7-bis[17'-(p-toluenesulfonyl)-3',6',9',12',15'-pentaoxaheptadecyloxycarbonyl)methyl]-N-methylphenothiazinhe |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
1133.414628083 u |
Formula |
C55H75NO18S3 |
InChI |
InChI=1S/C55H75NO18S3/c1-44-4-10-48(11-5-44)76(59,60)38-36-71-30-28-67-22-20-63-16-18-65-24-26-69-32-34-73-54(57)42-46-9-15-52-51(40-46)56(3)50-14-8-47(41-53(50)75-52)43-55(58)74-35-33-70-27-25-66-19-17-64-21-23-68-29-31-72-37-39-77(61,62)49-12-6-45(2)7-13-49/h4-15,40-41H,16-39,42-43H2,1-3H3 |
InChIKey |
FFIMNJKCMSLYQT-UHFFFAOYSA-N |
Molecular Weight |
1134.374 g/mol |
SMILES |
C1=2N(C3=C(SC2C=CC(=C1)CC(=O)OCCOCCOCCOCCOCCOCCS(C=1C=CC(=CC1)C)(=O)=O)C=C(C=C3)CC(=O)OCCOCCOCCOCCOCCOCCS(C1=CC=C(C=C1)C)(=O)=O)C |