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

Systemtic Name: 4-chloranyl-2-ethynyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-chloro-2-ethynyl-5-methylsulfonyl-benzoic acid CAS Name: 4-chloro-2-ethynyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-chloro-2-ethynyl-5-methylsulfonylbenzoic acid Traditional Name: 4-chloro-2-ethynyl-5-mesyl-benzoic acid Formula: C10H7ClO4S MolecularWeight: 258.67818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7ClO4S/c1-3-6-4-8(11)9(16(2,14)15)5-7(6)10(12)13/h1,4-5H,2H3,(H,12,13)