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

Systemtic Name: 4-(1-octyl-4-bicyclo[2.2.2]octanyl)benzenethiol Openeye Name: 4-(1-octyl-4-bicyclo[2.2.2]octanyl)benzenethiol CAS Name: 4-(1-octyl-4-bicyclo[2.2.2]octanyl)benzenethiol IUPAC Name: 4-(1-octyl-4-bicyclo[2.2.2]octanyl)benzenethiol Traditional Name: 4-(1-octyl-4-bicyclo[2.2.2]octanyl)benzenethiol Formula: C22H34S MolecularWeight: 330.57036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34S/c1-2-3-4-5-6-7-12-21-13-16-22(17-14-21,18-15-21)19-8-10-20(23)11-9-19/h8-11,23H,2-7,12-18H2,1H3