2-chloranyl-1-isothiocyanato-3,5-bis(trifluoromethyl)benzene

Systemtic Name: 2-chloranyl-1-isothiocyanato-3,5-bis(trifluoromethyl)benzene Openeye Name: 2-chloro-1-isothiocyanato-3,5-bis(trifluoromethyl)benzene CAS Name: 2-chloro-1-isothiocyanato-3,5-bis(trifluoromethyl)benzene IUPAC Name: 2-chloro-1-isothiocyanato-3,5-bis(trifluoromethyl)benzene Traditional Name: 2-chloro-1-isothiocyanato-3,5-bis(trifluoromethyl)benzene Formula: C9H2ClF6NS MolecularWeight: 305.627299

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(F)(F)F)Cl)N=C=S)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1C(F)(F)F)Cl)N=C=S)C(F)(F)F

InChI

InChI=1S/C9H2ClF6NS/c10-7-5(9(14,15)16)1-4(8(11,12)13)2-6(7)17-3-18/h1-2H