(4-prop-2-ynylsulfanylphenyl) benzenesulfonate

Systemtic Name: (4-prop-2-ynylsulfanylphenyl) benzenesulfonate Openeye Name: (4-prop-2-ynylsulfanylphenyl) benzenesulfonate CAS Name: benzenesulfonic acid [4-(prop-2-ynylthio)phenyl] ester IUPAC Name: (4-prop-2-ynylsulfanylphenyl) benzenesulfonate Traditional Name: benzenesulfonic acid [4-(propargylthio)phenyl] ester Formula: C15H12O3S2 MolecularWeight: 304.38398

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C#CCSC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H12O3S2/c1-2-12-19-14-10-8-13(9-11-14)18-20(16,17)15-6-4-3-5-7-15/h1,3-11H,12H2