[2-(2-methylsulfanylphenyl)cycloheptyl] methanesulfonate

Systemtic Name: [2-(2-methylsulfanylphenyl)cycloheptyl] methanesulfonate Openeye Name: [2-(2-methylsulfanylphenyl)cycloheptyl] methanesulfonate CAS Name: methanesulfonic acid [2-[2-(methylthio)phenyl]cycloheptyl] ester IUPAC Name: [2-(2-methylsulfanylphenyl)cycloheptyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[2-(methylthio)phenyl]cycloheptyl] ester Formula: C15H22O3S2 MolecularWeight: 314.46338

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2CCCCCC2OS(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC=C1C2CCCCCC2OS(=O)(=O)C

InChI

InChI=1S/C15H22O3S2/c1-19-15-11-7-6-9-13(15)12-8-4-3-5-10-14(12)18-20(2,16)17/h6-7,9,11-12,14H,3-5,8,10H2,1-2H3