2-[2,2-bis(phenylsulfanyl)ethyl]cycloheptan-1-one

Systemtic Name: 2-[2,2-bis(phenylsulfanyl)ethyl]cycloheptan-1-one Openeye Name: 2-[2,2-bis(phenylsulfanyl)ethyl]cycloheptanone CAS Name: 2-[2,2-bis(phenylthio)ethyl]-1-cycloheptanone IUPAC Name: 2-[2,2-bis(phenylsulfanyl)ethyl]cycloheptan-1-one Traditional Name: 2-[2,2-bis(phenylthio)ethyl]cycloheptanone Formula: C21H24OS2 MolecularWeight: 356.54466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)CC1)CC(SC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1CCC(C(=O)CC1)CC(SC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H24OS2/c22-20-15-9-1-4-10-17(20)16-21(23-18-11-5-2-6-12-18)24-19-13-7-3-8-14-19/h2-3,5-8,11-14,17,21H,1,4,9-10,15-16H2