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

Systemtic Name: 4-[(1-hexyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol Openeye Name: 4-[(1-hexyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol CAS Name: 4-[(1-hexyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol IUPAC Name: 4-[(1-hexyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol Traditional Name: 4-[(1-hexyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol Formula: C21H32OS MolecularWeight: 332.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC12CCC(CC1)(CC2)COC3=CC=C(C=C3)S

Isomeric SMILES

CCCCCCC12CCC(CC1)(CC2)COC3=CC=C(C=C3)S

InChI

InChI=1S/C21H32OS/c1-2-3-4-5-10-20-11-14-21(15-12-20,16-13-20)17-22-18-6-8-19(23)9-7-18/h6-9,23H,2-5,10-17H2,1H3