3-ethynyl-4-methyl-benzenesulfonate

Systemtic Name: 3-ethynyl-4-methyl-benzenesulfonate Openeye Name: 3-ethynyl-4-methyl-benzenesulfonate CAS Name: 3-ethynyl-4-methylbenzenesulfonate IUPAC Name: 3-ethynyl-4-methylbenzenesulfonate Traditional Name: 3-ethynyl-4-methyl-besylate Formula: C9H7O3S- MolecularWeight: 195.21508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[O-])C#C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[O-])C#C

InChI

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