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

Systemtic Name: 2-ethynyl-4-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 2-ethynyl-4-methyl-5-methylsulfonyl-benzoic acid CAS Name: 2-ethynyl-4-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 2-ethynyl-4-methyl-5-methylsulfonylbenzoic acid Traditional Name: 2-ethynyl-5-mesyl-4-methyl-benzoic acid Formula: C11H10O4S MolecularWeight: 238.2597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C#C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C#C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C11H10O4S/c1-4-8-5-7(2)10(16(3,14)15)6-9(8)11(12)13/h1,5-6H,2-3H3,(H,12,13)