Benzoic acid, 4,4',4''-[1,3,5-triazine-1,3,5(2H,4H,6H)-triyltris(sulfonyl)]tris-, trimethyl ester

SpectraBase Compound ID	EIAHQNfl9iA
InChI	InChI=1S/C27H27N3O12S3/c1-40-25(31)19-4-10-22(11-5-19)43(34,35)28-16-29(44(36,37)23-12-6-20(7-13-23)26(32)41-2)18-30(17-28)45(38,39)24-14-8-21(9-15-24)27(33)42-3/h4-15H,16-18H2,1-3H3
InChIKey	RAVWHRJWGKAXJS-UHFFFAOYSA-N Google Search
Mol Weight	681.7 g/mol
Molecular Formula	C27H27N3O12S3
Exact Mass	681.075687 g/mol

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SpectraBase Spectrum ID	6SFkT3pjFh0
Name	Benzoic acid, 4,4',4''-[1,3,5-triazine-1,3,5(2H,4H,6H)-triyltris(sulfonyl)]tris-, trimethyl ester
Alternate Name(s)	1,3,5-tris(p-methoxycarbonylphenylsulphonyl)hexahydro-1,3,5-triazine Benzoic acid, 4,4',4''-[1,3,5-triazine-1,3,5(2H,4H,6H)-triyltris(sulfonyl)]tris-, trimethyl ester Methyl 4-[(3,5-bis{[4-(methoxycarbonyl)phenyl]sulfonyl}tetrahydro-1,3,5-triazin-1(2H)-yl)sulfonyl]benzoate
CAS Registry Number	56221-23-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H27N3O12S3
InChI	InChI=1S/C27H27N3O12S3/c1-40-25(31)19-4-10-22(11-5-19)43(34,35)28-16-29(44(36,37)23-12-6-20(7-13-23)26(32)41-2)18-30(17-28)45(38,39)24-14-8-21(9-15-24)27(33)42-3/h4-15H,16-18H2,1-3H3
InChIKey	RAVWHRJWGKAXJS-UHFFFAOYSA-N
Molecular Weight	681.702 g/mol
SMILES	c1(S(N2CN(S(c3ccc(C(=O)OC)cc3)(=O)=O)CN(C2)S(c2ccc(C(=O)OC)cc2)(=O)=O)(=O)=O)ccc(C(=O)OC)cc1
SPLASH	splash10-000b-3920101000-910ba26475b392a34400
Source of Spectrum	O-11-1222-1
Wiley ID	1414366