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4-(4-Chlorophenyl)sulfonyl-3-methyl-5-(methylthio)-2-thenoic acid
SpectraBase Compound ID 2zRIPvb0f35
InChI InChI=1S/C13H11ClO4S3/c1-7-10(12(15)16)20-13(19-2)11(7)21(17,18)9-5-3-8(14)4-6-9/h3-6H,1-2H3,(H,15,16)
InChIKey ZBFBKKVEJSRLSH-UHFFFAOYSA-N
Mol Weight 362.86 g/mol
Molecular Formula C13H11ClO4S3
Exact Mass 361.9508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hl7NylGGyE
Name 4-(4-Chlorophenyl)sulfonyl-3-methyl-5-(methylthio)-2-thenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11ClO4S3
InChI InChI=1S/C13H11ClO4S3/c1-7-10(12(15)16)20-13(19-2)11(7)21(17,18)9-5-3-8(14)4-6-9/h3-6H,1-2H3,(H,15,16)
InChIKey ZBFBKKVEJSRLSH-UHFFFAOYSA-N
Molecular Weight 362.860 g/mol
SMILES OC(c1c(c(S(c2ccc(Cl)cc2)(=O)=O)c(s1)SC)C)=O
SPLASH splash10-03di-9563000000-825722f69172ca2b720c
Synonyms 4-(4-Chlorophenyl)sulfonyl-3-methyl-5-(methylthio)-2-thiophenecarboxylic acid 4-(4-Chlorophenyl)sulfonyl-3-methyl-5-methylsulfanyl-thiophene-2-carboxylic acid
Wiley ID 1452622