1-(4-isothiocyanatocyclohexyl)-4-[4-(4-octylcyclohexyl)phenyl]benzene

Systemtic Name: 1-(4-isothiocyanatocyclohexyl)-4-[4-(4-octylcyclohexyl)phenyl]benzene Openeye Name: 1-(4-isothiocyanatocyclohexyl)-4-[4-(4-octylcyclohexyl)phenyl]benzene CAS Name: 1-(4-isothiocyanatocyclohexyl)-4-[4-(4-octylcyclohexyl)phenyl]benzene IUPAC Name: 1-(4-isothiocyanatocyclohexyl)-4-[4-(4-octylcyclohexyl)phenyl]benzene Traditional Name: 1-(4-isothiocyanatocyclohexyl)-4-[4-(4-octylcyclohexyl)phenyl]benzene Formula: C33H45NS MolecularWeight: 487.7821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)N=C=S

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)N=C=S

InChI

InChI=1S/C33H45NS/c1-2-3-4-5-6-7-8-26-9-11-27(12-10-26)28-13-15-29(16-14-28)30-17-19-31(20-18-30)32-21-23-33(24-22-32)34-25-35/h13-20,26-27,32-33H,2-12,21-24H2,1H3