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2-(diethylcarbamothioylsulfanylsulfonyl)benzoic acid

2-(diethylcarbamothioylsulfanylsulfonyl)benzoic acid

Systemtic Name:2-(diethylcarbamothioylsulfanylsulfonyl)benzoic acid
Openeye Name:2-(diethylcarbamothioylsulfanylsulfonyl)benzoic acid
CAS Name:2-[[diethylamino(sulfanylidene)methyl]thio]sulfonylbenzoic acid
IUPAC Name:2-(diethylcarbamothioylsulfanylsulfonyl)benzoic acid
Traditional Name:2-(diethylthiocarbamoylthio)sulfonylbenzoic acid
Formula: C12H15NO4S3
MolecularWeight: 333.4468
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SS(=O)(=O)C1=CC=CC=C1C(=O)O


Isomeric SMILES

CCN(CC)C(=S)SS(=O)(=O)C1=CC=CC=C1C(=O)O


InChI

InChI=1S/C12H15NO4S3/c1-3-13(4-2)12(18)19-20(16,17)10-8-6-5-7-9(10)11(14)15/h5-8H,3-4H2,1-2H3,(H,14,15)


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