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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
Mol Weight 351.4 g/mol
Molecular Formula C9H5NO4S5
Exact Mass 350.882214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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
Alternate Name(s) 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
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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
Wiley ID 831748