2-(3-phenylsulfanylpropyl)cycloheptan-1-one

Systemtic Name: 2-(3-phenylsulfanylpropyl)cycloheptan-1-one Openeye Name: 2-(3-phenylsulfanylpropyl)cycloheptanone CAS Name: 2-[3-(phenylthio)propyl]-1-cycloheptanone IUPAC Name: 2-(3-phenylsulfanylpropyl)cycloheptan-1-one Traditional Name: 2-[3-(phenylthio)propyl]cycloheptanone Formula: C16H22OS MolecularWeight: 262.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)CC1)CCCSC2=CC=CC=C2

Isomeric SMILES

C1CCC(C(=O)CC1)CCCSC2=CC=CC=C2

InChI

InChI=1S/C16H22OS/c17-16-12-6-1-3-8-14(16)9-7-13-18-15-10-4-2-5-11-15/h2,4-5,10-11,14H,1,3,6-9,12-13H2