2-(3,5-ditert-butylphenyl)sulfanylcyclooctan-1-one

Systemtic Name: 2-(3,5-ditert-butylphenyl)sulfanylcyclooctan-1-one Openeye Name: 2-(3,5-ditert-butylphenyl)sulfanylcyclooctanone CAS Name: 2-[(3,5-ditert-butylphenyl)thio]-1-cyclooctanone IUPAC Name: 2-(3,5-ditert-butylphenyl)sulfanylcyclooctan-1-one Traditional Name: 2-[(3,5-ditert-butylphenyl)thio]cyclooctanone Formula: C22H34OS MolecularWeight: 346.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)SC2CCCCCCC2=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)SC2CCCCCCC2=O)C(C)(C)C

InChI

InChI=1S/C22H34OS/c1-21(2,3)16-13-17(22(4,5)6)15-18(14-16)24-20-12-10-8-7-9-11-19(20)23/h13-15,20H,7-12H2,1-6H3