5-[bis(fluoranyl)-(4-fluoranylcyclohexyl)methoxy]-2-isothiocyanato-1,3-dimethyl-benzene

Systemtic Name: 5-[bis(fluoranyl)-(4-fluoranylcyclohexyl)methoxy]-2-isothiocyanato-1,3-dimethyl-benzene Openeye Name: 5-[difluoro-(4-fluorocyclohexyl)methoxy]-2-isothiocyanato-1,3-dimethyl-benzene CAS Name: 5-[difluoro-(4-fluorocyclohexyl)methoxy]-2-isothiocyanato-1,3-dimethylbenzene IUPAC Name: 5-[difluoro-(4-fluorocyclohexyl)methoxy]-2-isothiocyanato-1,3-dimethylbenzene Traditional Name: 5-[difluoro-(4-fluorocyclohexyl)methoxy]-2-isothiocyanato-1,3-dimethyl-benzene Formula: C16H18F3NOS MolecularWeight: 329.38043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N=C=S)C)OC(C2CCC(CC2)F)(F)F

Isomeric SMILES

CC1=CC(=CC(=C1N=C=S)C)OC(C2CCC(CC2)F)(F)F

InChI

InChI=1S/C16H18F3NOS/c1-10-7-14(8-11(2)15(10)20-9-22)21-16(18,19)12-3-5-13(17)6-4-12/h7-8,12-13H,3-6H2,1-2H3