1-[2-(4-hexylcyclohexyl)ethyl]-4-isothiocyanato-benzene

Systemtic Name: 1-[2-(4-hexylcyclohexyl)ethyl]-4-isothiocyanato-benzene Openeye Name: 1-[2-(4-hexylcyclohexyl)ethyl]-4-isothiocyanato-benzene CAS Name: 1-[2-(4-hexylcyclohexyl)ethyl]-4-isothiocyanatobenzene IUPAC Name: 1-[2-(4-hexylcyclohexyl)ethyl]-4-isothiocyanatobenzene Traditional Name: 1-[2-(4-hexylcyclohexyl)ethyl]-4-isothiocyanato-benzene Formula: C21H31NS MolecularWeight: 329.54254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)CCC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCCC1CCC(CC1)CCC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C21H31NS/c1-2-3-4-5-6-18-7-9-19(10-8-18)11-12-20-13-15-21(16-14-20)22-17-23/h13-16,18-19H,2-12H2,1H3