(3-butylsulfanylphenyl) methanesulfonate

Systemtic Name: (3-butylsulfanylphenyl) methanesulfonate Openeye Name: (3-butylsulfanylphenyl) methanesulfonate CAS Name: methanesulfonic acid [3-(butylthio)phenyl] ester IUPAC Name: (3-butylsulfanylphenyl) methanesulfonate Traditional Name: methanesulfonic acid [3-(butylthio)phenyl] ester Formula: C11H16O3S2 MolecularWeight: 260.37294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=CC(=C1)OS(=O)(=O)C

Isomeric SMILES

CCCCSC1=CC=CC(=C1)OS(=O)(=O)C

InChI

InChI=1S/C11H16O3S2/c1-3-4-8-15-11-7-5-6-10(9-11)14-16(2,12)13/h5-7,9H,3-4,8H2,1-2H3