4,4',4'',4''',4'''',4''''',4'''''',4'''''',4''''''''-[BENZENE-1,3,5-TRIYL-TRIS-(METHANETETRAYL)]-NONABENZENESULFONIC-ACID

SpectraBase Compound ID	8Ha9e2nAFYX
InChI	InChI=1S/C63H48O27S9/c64-91(65,66)52-19-1-40(2-20-52)61(41-3-21-53(22-4-41)92(67,68)69,42-5-23-54(24-6-42)93(70,71)72)49-37-50(62(43-7-25-55(26-8-43)94(73,74)75,44-9-27-56(28-10-44)95(76,77)78)45-11-29-57(30-12-45)96(79,80)81)39-51(38-49)63(46-13-31-58(32-14-46)97(82,83)84,47-15-33-59(34-16-47)98(85,86)87)48-17-35-60(36-18-48)99(88,89)90/h1-39H,(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)
InChIKey	BCYNSWRUHVUTHV-UHFFFAOYSA-N Google Search
Mol Weight	1525.6 g/mol
Molecular Formula	C63H48O27S9
Exact Mass	1523.986937 g/mol

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SpectraBase Spectrum ID	1DhacSJ4Wjy
Name	4,4',4'',4''',4'''',4''''',4'''''',4'''''',4''''''''-[BENZENE-1,3,5-TRIYL-TRIS-(METHANETETRAYL)]-NONABENZENESULFONIC-ACID
Compound Number	3-SO3H
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C63H48O27S9
InChI	InChI=1S/C63H48O27S9/c64-91(65,66)52-19-1-40(2-20-52)61(41-3-21-53(22-4-41)92(67,68)69,42-5-23-54(24-6-42)93(70,71)72)49-37-50(62(43-7-25-55(26-8-43)94(73,74)75,44-9-27-56(28-10-44)95(76,77)78)45-11-29-57(30-12-45)96(79,80)81)39-51(38-49)63(46-13-31-58(32-14-46)97(82,83)84,47-15-33-59(34-16-47)98(85,86)87)48-17-35-60(36-18-48)99(88,89)90/h1-39H,(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)
InChIKey	BCYNSWRUHVUTHV-UHFFFAOYSA-N
Literature Reference Author	O.PLIETZSCH,A.SCHADE,A.HAFNER,J.HUUSKONEN,K.RISSANEN,M.NIEGE R,T.MULLER,S.BRAESE
Literature Reference Citation	EUR.J.ORG.CHEM.,2013,283(2013)
Literature Reference DOI	10.1002/ejoc.201201162
Molecular Weight	1525.598 g/mol
Solvent	DMSO-D6
Source File Reference	UWBT17427