2-phenylsulfanylcycloheptan-1-one

Systemtic Name: 2-phenylsulfanylcycloheptan-1-one Openeye Name: 2-phenylsulfanylcycloheptanone CAS Name: 2-(phenylthio)-1-cycloheptanone IUPAC Name: 2-phenylsulfanylcycloheptan-1-one Traditional Name: 2-(phenylthio)cycloheptanone Formula: C13H16OS MolecularWeight: 220.33054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)CC1)SC2=CC=CC=C2

Isomeric SMILES

C1CCC(C(=O)CC1)SC2=CC=CC=C2

InChI

InChI=1S/C13H16OS/c14-12-9-5-2-6-10-13(12)15-11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2