1-hexyl-4-[2-(4-isothiocyanatophenyl)ethyl]bicyclo[2.2.2]octane

Systemtic Name: 1-hexyl-4-[2-(4-isothiocyanatophenyl)ethyl]bicyclo[2.2.2]octane Openeye Name: 1-hexyl-4-[2-(4-isothiocyanatophenyl)ethyl]bicyclo[2.2.2]octane CAS Name: 1-hexyl-4-[2-(4-isothiocyanatophenyl)ethyl]bicyclo[2.2.2]octane IUPAC Name: 1-hexyl-4-[2-(4-isothiocyanatophenyl)ethyl]bicyclo[2.2.2]octane Traditional Name: 1-hexyl-4-[2-(4-isothiocyanatophenyl)ethyl]bicyclo[2.2.2]octane Formula: C23H33NS MolecularWeight: 355.57982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC12CCC(CC1)(CC2)CCC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCC12CCC(CC1)(CC2)CCC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C23H33NS/c1-2-3-4-5-11-22-13-16-23(17-14-22,18-15-22)12-10-20-6-8-21(9-7-20)24-19-25/h6-9H,2-5,10-18H2,1H3