N-Methyl-2,7-bis[17'-(p-toluenesulfonyl)-3',6',9',12',15'-pentaoxaheptadecyloxycarbonyl)methyl]-N-methylphenothiazinhe

SpectraBase Compound ID	kqXmuTIfB
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 Google Search
Mol Weight	1134.4 g/mol
Molecular Formula	C55H75NO18S3
Exact Mass	1133.414628 g/mol

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SpectraBase Spectrum ID	A7riOFnvgAC
Name	N-Methyl-2,7-bis[17'-(p-toluenesulfonyl)-3',6',9',12',15'-pentaoxaheptadecyloxycarbonyl)methyl]-N-methylphenothiazinhe
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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	c12N(c3c(Sc2ccc(c1)CC(=O)OCCOCCOCCOCCOCCOCCS(c1ccc(cc1)C)(=O)=O)cc(cc3)CC(=O)OCCOCCOCCOCCOCCOCCS(c1ccc(cc1)C)(=O)=O)C
SPLASH	splash10-000i-9110000000-326aa4c38b2fcd834675
Source of Spectrum	K1-2001-3273-23
Wiley ID	814193