4-(4-isothiocyanatophenyl)-1-octyl-bicyclo[2.2.2]octane

Systemtic Name: 4-(4-isothiocyanatophenyl)-1-octyl-bicyclo[2.2.2]octane Openeye Name: 4-(4-isothiocyanatophenyl)-1-octyl-bicyclo[2.2.2]octane CAS Name: 4-(4-isothiocyanatophenyl)-1-octylbicyclo[2.2.2]octane IUPAC Name: 4-(4-isothiocyanatophenyl)-1-octylbicyclo[2.2.2]octane Traditional Name: 4-(4-isothiocyanatophenyl)-1-octyl-bicyclo[2.2.2]octane Formula: C23H33NS MolecularWeight: 355.57982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NS/c1-2-3-4-5-6-7-12-22-13-16-23(17-14-22,18-15-22)20-8-10-21(11-9-20)24-19-25/h8-11H,2-7,12-18H2,1H3