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2-chloranyl-6-methylsulfonyl-benzoic acid

2-chloranyl-6-methylsulfonyl-benzoic acid

Systemtic Name:2-chloranyl-6-methylsulfonyl-benzoic acid
Openeye Name:2-chloro-6-methylsulfonyl-benzoic acid
CAS Name:2-chloro-6-methylsulfonylbenzoic acid
IUPAC Name:2-chloro-6-methylsulfonylbenzoic acid
Traditional Name:2-chloro-6-mesyl-benzoic acid
Formula: C8H7ClO4S
MolecularWeight: 234.65678
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=CC=C1)Cl)C(=O)O


Isomeric SMILES

CS(=O)(=O)C1=C(C(=CC=C1)Cl)C(=O)O


InChI

InChI=1S/C8H7ClO4S/c1-14(12,13)6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11)


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