(2-hept-2-ynylsulfanylphenyl) methanesulfonate

Systemtic Name: (2-hept-2-ynylsulfanylphenyl) methanesulfonate Openeye Name: (2-hept-2-ynylsulfanylphenyl) methanesulfonate CAS Name: methanesulfonic acid [2-(hept-2-ynylthio)phenyl] ester IUPAC Name: (2-hept-2-ynylsulfanylphenyl) methanesulfonate Traditional Name: methanesulfonic acid [2-(hept-2-ynylthio)phenyl] ester Formula: C14H18O3S2 MolecularWeight: 298.42092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCSC1=CC=CC=C1OS(=O)(=O)C

Isomeric SMILES

CCCCC#CCSC1=CC=CC=C1OS(=O)(=O)C

InChI

InChI=1S/C14H18O3S2/c1-3-4-5-6-9-12-18-14-11-8-7-10-13(14)17-19(2,15)16/h7-8,10-11H,3-5,12H2,1-2H3