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3-(3-Oxo-5-thioxo-3H,4H,5H-bis[1,2]dithiolo[3,4-b:4',3'-e][1,4]thiazin-4-yl)propanoic acid
SpectraBase Compound ID 2jKmKa1370G
InChI InChI=1S/C9H5NO3S6/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 LONNXOCXCZGTDX-UHFFFAOYSA-N
Mol Weight 367.5 g/mol
Molecular Formula C9H5NO3S6
Exact Mass 366.85937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETxzv2rLAUK
Name 3-(3-Oxo-5-thioxo-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-oxo-5-thioxo-3H,4H,5H-di[1,2]dithiolo[3,4-b:4,3-e][1,4]thiazin-4-yl)propanoic acid 3-(5-oxo-3-sulfanylidene-4-didithiolo[5,4-a:5',4'-e][1,4]thiazinyl)propanoic acid 3-(5-oxo-3-sulfanylidenedidithiolo[5,4-a:5',4'-e][1,4]thiazin-4-yl)propanoic acid 3-(5-oxo-3-thioxo-didithiolo[5,4-a:5',4'-e][1,4]thiazin-4-yl)propanoic acid 3-(5-oxidanylidene-3-sulfanylidene-di[1,2]dithiolo[5,4-a:5',4'-e][1,4]thiazin-4-yl)propanoic acid
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Formula C9H5NO3S6
InChI InChI=1S/C9H5NO3S6/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 LONNXOCXCZGTDX-UHFFFAOYSA-N
Molecular Weight 367.503 g/mol
SMILES OC(CCN1C2=C(SC3=C1C(=S)SS3)SSC2=O)=O
SPLASH splash10-014i-1109000000-c7613c06228a5816e566
Source of Spectrum KC-0-3427-23
Wiley ID 831747