1-[3-(4-heptylcyclohexyl)propoxy]-4-isothiocyanato-benzene

Systemtic Name: 1-[3-(4-heptylcyclohexyl)propoxy]-4-isothiocyanato-benzene Openeye Name: 1-[3-(4-heptylcyclohexyl)propoxy]-4-isothiocyanato-benzene CAS Name: 1-[3-(4-heptylcyclohexyl)propoxy]-4-isothiocyanatobenzene IUPAC Name: 1-[3-(4-heptylcyclohexyl)propoxy]-4-isothiocyanatobenzene Traditional Name: 1-[3-(4-heptylcyclohexyl)propoxy]-4-isothiocyanato-benzene Formula: C23H35NOS MolecularWeight: 373.5951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CCCOC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCCCC1CCC(CC1)CCCOC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C23H35NOS/c1-2-3-4-5-6-8-20-10-12-21(13-11-20)9-7-18-25-23-16-14-22(15-17-23)24-19-26/h14-17,20-21H,2-13,18H2,1H3