1-isothiocyanato-4-[4-[4-(4-octylcyclohexyl)cyclohexyl]cyclohexyl]benzene

Systemtic Name: 1-isothiocyanato-4-[4-[4-(4-octylcyclohexyl)cyclohexyl]cyclohexyl]benzene Openeye Name: 1-isothiocyanato-4-[4-[4-(4-octylcyclohexyl)cyclohexyl]cyclohexyl]benzene CAS Name: 1-isothiocyanato-4-[4-[4-(4-octylcyclohexyl)cyclohexyl]cyclohexyl]benzene IUPAC Name: 1-isothiocyanato-4-[4-[4-(4-octylcyclohexyl)cyclohexyl]cyclohexyl]benzene Traditional Name: 1-isothiocyanato-4-[4-[4-(4-octylcyclohexyl)cyclohexyl]cyclohexyl]benzene Formula: C33H51NS MolecularWeight: 493.82974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2CCC(CC2)C3CCC(CC3)C4=CC=C(C=C4)N=C=S

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2CCC(CC2)C3CCC(CC3)C4=CC=C(C=C4)N=C=S

InChI

InChI=1S/C33H51NS/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/h21-24,26-31H,2-20H2,1H3