3-(3,5-Dioxo-3H,4H,5H-bis[1,2]dithiolo[3,4-b:4',3'-e][1,4]thiazin-4-yl)propanoic acid

SpectraBase Compound ID	2YqkzOnUOap
InChI	InChI=1S/C9H5NO4S5/c11-3(12)1-2-10-4-6(13)16-18-8(4)15-9-5(10)7(14)17-19-9/h1-2H2,(H,11,12)
InChIKey	YCICVVWOMUGKFY-UHFFFAOYSA-N Google Search
Mol Weight	351.4 g/mol
Molecular Formula	C9H5NO4S5
Exact Mass	350.882214 g/mol

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SpectraBase Spectrum ID	5je31FRvnOw
Name	3-(3,5-Dioxo-3H,4H,5H-bis[1,2]dithiolo[3,4-b:4',3'-e][1,4]thiazin-4-yl)propanoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C9H5NO4S5
InChI	InChI=1S/C9H5NO4S5/c11-3(12)1-2-10-4-6(13)16-18-8(4)15-9-5(10)7(14)17-19-9/h1-2H2,(H,11,12)
InChIKey	YCICVVWOMUGKFY-UHFFFAOYSA-N
Molecular Weight	351.442 g/mol
SMILES	OC(CCN1C2=C(SC3=C1C(=O)SS3)SSC2=O)=O
SPLASH	splash10-0a6u-9411000000-6d53a317a31b3d8e4e87
Source of Spectrum	KC-0-3427-22
Synonyms	3-(3,5-dioxo-3H,4H,5H-di[1,2]dithiolo[3,4-b:4,3-e][1,4]thiazin-4-yl)propanoic acid 3-(3,5-dioxo-4-didithiolo[5,4-a:5',4'-e][1,4]thiazinyl)propanoic acid 3-(3,5-dioxodidithiolo[5,4-a:5',4'-e][1,4]thiazin-4-yl)propanoic acid 3-[3,5-bis(oxidanylidene)di[1,2]dithiolo[5,4-a:5',4'-e][1,4]thiazin-4-yl]propanoic acid
Wiley ID	831748