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[(5Z)-5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
SpectraBase Compound ID EFcJHcrQQXC
InChI InChI=1S/C12H8N2O5S2/c15-10(16)6-13-11(17)9(21-12(13)20)5-7-1-3-8(4-2-7)14(18)19/h1-5H,6H2,(H,15,16)/b9-5-
InChIKey WMQLRTQCDXAEPQ-UITAMQMPSA-N
Mol Weight 324.33 g/mol
Molecular Formula C12H8N2O5S2
Exact Mass 323.987464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FBpXsEYf3c
Name [(5Z)-5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
CAS Registry Number 82158-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N2O5S2
InChI InChI=1S/C12H8N2O5S2/c15-10(16)6-13-11(17)9(21-12(13)20)5-7-1-3-8(4-2-7)14(18)19/h1-5H,6H2,(H,15,16)/b9-5-
InChIKey WMQLRTQCDXAEPQ-UITAMQMPSA-N
Molecular Weight 324.325 g/mol
SMILES OC(=O)CN1C(S\C(C1=O)=C\c1ccc(cc1)N(=O)=O)=S
SPLASH splash10-004s-9500000000-9b2365c37994e6200e79
Source of Spectrum AD-0-2532-0
Synonyms 2-[(5Z)-4-keto-5-(4-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]acetic acid 2-[(5Z)-5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid 2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid 2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid 2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid 3-Thiazolideneacetic acid, 5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo- Acetic acid, 2-[5-(4-nitrobenzylidene)-4-oxo-2-thioxo-3-thiazolidinyl]- [5-(4-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Wiley ID 1432439