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

Systemtic Name: 4-[(1-heptyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol Openeye Name: 4-[(1-heptyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol CAS Name: 4-[(1-heptyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol IUPAC Name: 4-[(1-heptyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol Traditional Name: 4-[(1-heptyl-4-bicyclo[2.2.2]octanyl)methoxy]benzenethiol Formula: C22H34OS MolecularWeight: 346.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC12CCC(CC1)(CC2)COC3=CC=C(C=C3)S

Isomeric SMILES

CCCCCCCC12CCC(CC1)(CC2)COC3=CC=C(C=C3)S

InChI

InChI=1S/C22H34OS/c1-2-3-4-5-6-11-21-12-15-22(16-13-21,17-14-21)18-23-19-7-9-20(24)10-8-19/h7-10,24H,2-6,11-18H2,1H3