1,3,5-Triazine, hexahydro-1,3,5-tris[(4-nitrophenyl)sulfonyl]-

SpectraBase Compound ID	DWDswesRY4j
InChI	InChI=1S/C21H18N6O12S3/c28-25(29)16-1-7-19(8-2-16)40(34,35)22-13-23(41(36,37)20-9-3-17(4-10-20)26(30)31)15-24(14-22)42(38,39)21-11-5-18(6-12-21)27(32)33/h1-12H,13-15H2
InChIKey	UUDBIJMHIGGYCP-UHFFFAOYSA-N Google Search
Mol Weight	642.58 g/mol
Molecular Formula	C21H18N6O12S3
Exact Mass	642.014484 g/mol

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SpectraBase Spectrum ID	EOo8LEgZj2F
Name	1,3,5-Triazine, hexahydro-1,3,5-tris[(4-nitrophenyl)sulfonyl]-
Alternate Name(s)	1,3,5-Tris[(4-nitrophenyl)sulfonyl]-1,3,5-triazinane 1,3,5-trinosyl-1,3,5-triazinane 1,3,5-Tris(p-nitrobenzenesulphonyl)-hexahydro-1,3,5-triazine
CAS Registry Number	52082-72-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H18N6O12S3
InChI	InChI=1S/C21H18N6O12S3/c28-25(29)16-1-7-19(8-2-16)40(34,35)22-13-23(41(36,37)20-9-3-17(4-10-20)26(30)31)15-24(14-22)42(38,39)21-11-5-18(6-12-21)27(32)33/h1-12H,13-15H2
InChIKey	UUDBIJMHIGGYCP-UHFFFAOYSA-N
Molecular Weight	642.585 g/mol
SMILES	c1cc(ccc1N(=O)=O)S(N1CN(CN(C1)S(c1ccc(cc1)N(=O)=O)(=O)=O)S(c1ccc(cc1)N(=O)=O)(=O)=O)(=O)=O
SPLASH	splash10-009l-8910000000-42fd4c4f1695960e72b6
Source of Spectrum	O-11-1222-1
Wiley ID	1412690