2,8-bis[phenyl-(phenylmethylsulfanyl)methyl]cyclooctan-1-one

Systemtic Name: 2,8-bis[phenyl-(phenylmethylsulfanyl)methyl]cyclooctan-1-one Openeye Name: 2,8-bis[benzylsulfanyl(phenyl)methyl]cyclooctanone CAS Name: 2,8-bis[phenyl-(phenylmethylthio)methyl]-1-cyclooctanone IUPAC Name: 2,8-bis[benzylsulfanyl(phenyl)methyl]cyclooctan-1-one Traditional Name: 2,8-bis[(benzylthio)-phenyl-methyl]cyclooctanone Formula: C36H38OS2 MolecularWeight: 550.81632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C(CC1)C(C2=CC=CC=C2)SCC3=CC=CC=C3)C(C4=CC=CC=C4)SCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C(=O)C(CC1)C(C2=CC=CC=C2)SCC3=CC=CC=C3)C(C4=CC=CC=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C36H38OS2/c37-34-32(35(30-20-10-3-11-21-30)38-26-28-16-6-1-7-17-28)24-14-5-15-25-33(34)36(31-22-12-4-13-23-31)39-27-29-18-8-2-9-19-29/h1-4,6-13,16-23,32-33,35-36H,5,14-15,24-27H2