2,21-dithia-7,10,13,16,26,29,32,35-octaazaheptacyclo[34.2.2.2~3,6~.2~10,13~.2~17,20~.2~22,25~.2~29,32~]pentaconta-1(38),3,5,17,19,22,24,36,39,43,45,49-dodecaene-8,15,27,34-tetrone 2,2,21,21-tetraoxide

Modify Date: 2025-09-04 17:37:12

2,21-dithia-7,10,13,16,26,29,32,35-octaazaheptacyclo[34.2.2.2~3,6~.2~10,13~.2~17,20~.2~22,25~.2~29,32~]pentaconta-1(38),3,5,17,19,22,24,36,39,43,45,49-dodecaene-8,15,27,34-tetrone 2,2,21,21-tetraoxide structure	Common Name	2,21-dithia-7,10,13,16,26,29,32,35-octaazaheptacyclo[34.2.2.2~3,6~.2~10,13~.2~17,20~.2~22,25~.2~29,32~]pentaconta-1(38),3,5,17,19,22,24,36,39,43,45,49-dodecaene-8,15,27,34-tetrone 2,2,21,21-tetraoxide
	CAS Number	6266-83-7	Molecular Weight	828.95600
	Density	1.51g/cm3	Boiling Point	1119.7ºC at 760 mmHg
	Molecular Formula	C₄₀H₄₄N₈O₈S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	630.9ºC

Name	2,21-dithia-7,10,13,16,26,29,32,35-octaazaheptacyclo[34.2.2.23,6.210,13.217,20.222,25.229,32]pentaconta-1(38),3,5,17,19,22,24,36,39,43,45,49-dodecaene-8,15,27,34-tetrone 2,2,21,21-tetraoxide

Density	1.51g/cm3
Boiling Point	1119.7ºC at 760 mmHg
Molecular Formula	C₄₀H₄₄N₈O₈S₂
Molecular Weight	828.95600
Flash Point	630.9ºC
Exact Mass	828.27200
PSA	214.40000
LogP	4.52040
Index of Refraction	1.723
InChIKey	BAJKVMCRMMOUKL-UHFFFAOYSA-N
SMILES	O=C1CN2CCN(CC2)CC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccc(cc2)NC(=O)CN2CCN(CC2)CC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccc(cc2)N1

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