2-ethynyl-4-methyl-benzenesulfonic acid

Systemtic Name: 2-ethynyl-4-methyl-benzenesulfonic acid Openeye Name: 2-ethynyl-4-methyl-benzenesulfonic acid CAS Name: 2-ethynyl-4-methylbenzenesulfonic acid IUPAC Name: 2-ethynyl-4-methylbenzenesulfonic acid Traditional Name: 2-ethynyl-4-methyl-besylic acid Formula: C9H8O3S MolecularWeight: 196.22302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O3S/c1-3-8-6-7(2)4-5-9(8)13(10,11)12/h1,4-6H,2H3,(H,10,11,12)