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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC12CCC(CC1)(CC2)C3=CC=C(C=C3)S

Isomeric SMILES

CCCCCCCOC12CCC(CC1)(CC2)C3=CC=C(C=C3)S

InChI

InChI=1S/C21H32OS/c1-2-3-4-5-6-17-22-21-14-11-20(12-15-21,13-16-21)18-7-9-19(23)10-8-18/h7-10,23H,2-6,11-17H2,1H3