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

Systemtic Name: 1-isothiocyanato-4-[4-(4-octylcyclohexyl)cyclohexyl]benzene Openeye Name: 1-isothiocyanato-4-[4-(4-octylcyclohexyl)cyclohexyl]benzene CAS Name: 1-isothiocyanato-4-[4-(4-octylcyclohexyl)cyclohexyl]benzene IUPAC Name: 1-isothiocyanato-4-[4-(4-octylcyclohexyl)cyclohexyl]benzene Traditional Name: 1-isothiocyanato-4-[4-(4-octylcyclohexyl)cyclohexyl]benzene Formula: C27H41NS MolecularWeight: 411.68614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C27H41NS/c1-2-3-4-5-6-7-8-22-9-11-23(12-10-22)24-13-15-25(16-14-24)26-17-19-27(20-18-26)28-21-29/h17-20,22-25H,2-16H2,1H3