2-(1-phenylsulfanylnonyl)cyclohexan-1-one

Systemtic Name: 2-(1-phenylsulfanylnonyl)cyclohexan-1-one Openeye Name: 2-(1-phenylsulfanylnonyl)cyclohexanone CAS Name: 2-[1-(phenylthio)nonyl]-1-cyclohexanone IUPAC Name: 2-(1-phenylsulfanylnonyl)cyclohexan-1-one Traditional Name: 2-[1-(phenylthio)nonyl]cyclohexanone Formula: C21H32OS MolecularWeight: 332.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C1CCCCC1=O)SC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC(C1CCCCC1=O)SC2=CC=CC=C2

InChI

InChI=1S/C21H32OS/c1-2-3-4-5-6-10-17-21(19-15-11-12-16-20(19)22)23-18-13-8-7-9-14-18/h7-9,13-14,19,21H,2-6,10-12,15-17H2,1H3