4-[(1-pentyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol

Systemtic Name: 4-[(1-pentyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol Openeye Name: 4-[(1-pentyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol CAS Name: 4-[(1-pentyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol IUPAC Name: 4-[(1-pentyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol Traditional Name: 4-[(1-amyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol Formula: C20H30OS MolecularWeight: 318.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)COC3=CC=C(C=C3)S

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)COC3=CC=C(C=C3)S

InChI

InChI=1S/C20H30OS/c1-2-3-4-9-19-10-13-20(14-11-19,15-12-19)16-21-17-5-7-18(22)8-6-17/h5-8,22H,2-4,9-16H2,1H3