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4-cyano-2-ethynyl-5-methylsulfonyl-benzoic acid

4-cyano-2-ethynyl-5-methylsulfonyl-benzoic acid

Systemtic Name:4-cyano-2-ethynyl-5-methylsulfonyl-benzoic acid
Openeye Name:4-cyano-2-ethynyl-5-methylsulfonyl-benzoic acid
CAS Name:4-cyano-2-ethynyl-5-methylsulfonylbenzoic acid
IUPAC Name:4-cyano-2-ethynyl-5-methylsulfonylbenzoic acid
Traditional Name:4-cyano-2-ethynyl-5-mesyl-benzoic acid
Formula: C11H7NO4S
MolecularWeight: 249.24258
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)C#C)C#N


Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)C#C)C#N


InChI

InChI=1S/C11H7NO4S/c1-3-7-4-8(6-12)10(17(2,15)16)5-9(7)11(13)14/h1,4-5H,2H3,(H,13,14)


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