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

Systemtic Name: 4-[(1-octyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol Openeye Name: 4-[(1-octyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol CAS Name: 4-[(1-octyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol IUPAC Name: 4-[(1-octyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol Traditional Name: 4-[(1-octyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol Formula: C23H36OS MolecularWeight: 360.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC12CCC(CC1)(CC2)COC3=CC=C(C=C3)S

Isomeric SMILES

CCCCCCCCC12CCC(CC1)(CC2)COC3=CC=C(C=C3)S

InChI

InChI=1S/C23H36OS/c1-2-3-4-5-6-7-12-22-13-16-23(17-14-22,18-15-22)19-24-20-8-10-21(25)11-9-20/h8-11,25H,2-7,12-19H2,1H3