3-but-1-ynyl-4-methyl-benzenesulfonate

Systemtic Name: 3-but-1-ynyl-4-methyl-benzenesulfonate Openeye Name: 3-but-1-ynyl-4-methyl-benzenesulfonate CAS Name: 3-but-1-ynyl-4-methylbenzenesulfonate IUPAC Name: 3-but-1-ynyl-4-methylbenzenesulfonate Traditional Name: 3-but-1-ynyl-4-methyl-besylate Formula: C11H11O3S- MolecularWeight: 223.26824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O3S/c1-3-4-5-10-8-11(15(12,13)14)7-6-9(10)2/h6-8H,3H2,1-2H3,(H,12,13,14)/p-1