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5-methylsulfonyl-2-propan-2-ylsulfanyl-benzoic acid

5-methylsulfonyl-2-propan-2-ylsulfanyl-benzoic acid

Systemtic Name:5-methylsulfonyl-2-propan-2-ylsulfanyl-benzoic acid
Openeye Name:2-isopropylsulfanyl-5-methylsulfonyl-benzoic acid
CAS Name:5-methylsulfonyl-2-(propan-2-ylthio)benzoic acid
IUPAC Name:5-methylsulfonyl-2-propan-2-ylsulfanylbenzoic acid
Traditional Name:2-(isopropylthio)-5-mesyl-benzoic acid
Formula: C11H14O4S2
MolecularWeight: 274.35646
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O


Isomeric SMILES

CC(C)SC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O


InChI

InChI=1S/C11H14O4S2/c1-7(2)16-10-5-4-8(17(3,14)15)6-9(10)11(12)13/h4-7H,1-3H3,(H,12,13)


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