4-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoic acid

SpectraBase Compound ID	JmlonJUFoYv
InChI	InChI=1S/C14H12N2O4S/c1-15-11(17)10(12(18)16(2)14(15)21)7-8-3-5-9(6-4-8)13(19)20/h3-7H,1-2H3,(H,19,20)
InChIKey	YOAXUGOXGNPWLB-UHFFFAOYSA-N Google Search
Mol Weight	304.32 g/mol
Molecular Formula	C14H12N2O4S
Exact Mass	304.051778 g/mol

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SpectraBase Spectrum ID	9k9DtWRnRfy
Name	4-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H12N2O4S
InChI	InChI=1S/C14H12N2O4S/c1-15-11(17)10(12(18)16(2)14(15)21)7-8-3-5-9(6-4-8)13(19)20/h3-7H,1-2H3,(H,19,20)
InChIKey	YOAXUGOXGNPWLB-UHFFFAOYSA-N
Molecular Weight	304.320 g/mol
SMILES	OC(=O)c1ccc(cc1)C=C1C(N(C(N(C1=O)C)=S)C)=O
SPLASH	splash10-0uk9-9612000000-be400613298208c895e3
Synonyms	4-[(1,3-dimethyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid 4-[(4,6-diketo-1,3-dimethyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid 4-[[1,3-dimethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzoic acid
Wiley ID	1511096