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

SpectraBase Compound ID	DdTsA0vgCGX
InChI	InChI=1S/C21H18N6O12S3/c28-25(29)16-4-1-7-19(10-16)40(34,35)22-13-23(41(36,37)20-8-2-5-17(11-20)26(30)31)15-24(14-22)42(38,39)21-9-3-6-18(12-21)27(32)33/h1-12H,13-15H2
InChIKey	RBDCFOKYFLTEPC-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	AzO4Bj5gTA0
Name	1,3,5-Triazine, hexahydro-1,3,5-tris[(3-nitrophenyl)sulfonyl]-
CAS Registry Number	56221-21-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H18N6O12S3
InChI	InChI=1S/C21H18N6O12S3/c28-25(29)16-4-1-7-19(10-16)40(34,35)22-13-23(41(36,37)20-8-2-5-17(11-20)26(30)31)15-24(14-22)42(38,39)21-9-3-6-18(12-21)27(32)33/h1-12H,13-15H2
InChIKey	RBDCFOKYFLTEPC-UHFFFAOYSA-N
Molecular Weight	642.585 g/mol
SMILES	c1cc(cc(c1)S(N1CN(CN(C1)S(c1cccc(c1)N(=O)=O)(=O)=O)S(c1cccc(c1)N(=O)=O)(=O)=O)(=O)=O)N(=O)=O
SPLASH	splash10-007c-6930101000-236921b5f7dd38872af5
Source of Spectrum	O-11-1222-1
Synonyms	1,3,5-Tris[(3-nitrophenyl)sulfonyl]-1,3,5-triazinane 1,3,5-Tris(m-nitrobenzene-sulphonyl)-hexahydro-1,3,5-triazine
Wiley ID	1412689