[2-(1-sulfanylhept-2-ynyl)phenyl] methanesulfonate

Systemtic Name: [2-(1-sulfanylhept-2-ynyl)phenyl] methanesulfonate Openeye Name: [2-(1-sulfanylhept-2-ynyl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-(1-mercaptohept-2-ynyl)phenyl] ester IUPAC Name: [2-(1-sulfanylhept-2-ynyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(1-mercaptohept-2-ynyl)phenyl] ester Formula: C14H18O3S2 MolecularWeight: 298.42092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C1=CC=CC=C1OS(=O)(=O)C)S

Isomeric SMILES

CCCCC#CC(C1=CC=CC=C1OS(=O)(=O)C)S

InChI

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