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

Systemtic Name: 1-isothiocyanato-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene Openeye Name: 1-isothiocyanato-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene CAS Name: 1-isothiocyanato-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene IUPAC Name: 1-isothiocyanato-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene Traditional Name: 1-isothiocyanato-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene Formula: C30H47NS MolecularWeight: 453.76588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCCCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C30H47NS/c1-2-3-4-5-6-7-8-9-10-11-25-12-14-26(15-13-25)27-16-18-28(19-17-27)29-20-22-30(23-21-29)31-24-32/h20-23,25-28H,2-19H2,1H3