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

Systemtic Name: 1-[3-(4-hexylcyclohexyl)propoxy]-4-isothiocyanato-benzene Openeye Name: 1-[3-(4-hexylcyclohexyl)propoxy]-4-isothiocyanato-benzene CAS Name: 1-[3-(4-hexylcyclohexyl)propoxy]-4-isothiocyanatobenzene IUPAC Name: 1-[3-(4-hexylcyclohexyl)propoxy]-4-isothiocyanatobenzene Traditional Name: 1-[3-(4-hexylcyclohexyl)propoxy]-4-isothiocyanato-benzene Formula: C22H33NOS MolecularWeight: 359.56852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)CCCOC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCCC1CCC(CC1)CCCOC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C22H33NOS/c1-2-3-4-5-7-19-9-11-20(12-10-19)8-6-17-24-22-15-13-21(14-16-22)23-18-25/h13-16,19-20H,2-12,17H2,1H3