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

Systemtic Name: 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzenethiol Openeye Name: 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzenethiol CAS Name: 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzenethiol IUPAC Name: 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzenethiol Traditional Name: 4-(1-amyl-4-bicyclo[2.2.2]octanyl)benzenethiol Formula: C19H28S MolecularWeight: 288.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28S/c1-2-3-4-9-18-10-13-19(14-11-18,15-12-18)16-5-7-17(20)8-6-16/h5-8,20H,2-4,9-15H2,1H3