1-isothiocyanato-4-(4-octylcyclohexyl)benzene

Systemtic Name: 1-isothiocyanato-4-(4-octylcyclohexyl)benzene Openeye Name: 1-isothiocyanato-4-(4-octylcyclohexyl)benzene CAS Name: 1-isothiocyanato-4-(4-octylcyclohexyl)benzene IUPAC Name: 1-isothiocyanato-4-(4-octylcyclohexyl)benzene Traditional Name: 1-isothiocyanato-4-(4-octylcyclohexyl)benzene Formula: C21H31NS MolecularWeight: 329.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)N=C=S

InChI

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