2-chloranyl-1-[3-(2-methylprop-2-enylsulfanyl)-4-nitro-phenoxy]-4-(trifluoromethyl)benzene

Systemtic Name: 2-chloranyl-1-[3-(2-methylprop-2-enylsulfanyl)-4-nitro-phenoxy]-4-(trifluoromethyl)benzene Openeye Name: 2-chloro-1-[3-(2-methylallylsulfanyl)-4-nitro-phenoxy]-4-(trifluoromethyl)benzene CAS Name: 2-chloro-1-[3-(2-methylprop-2-enylthio)-4-nitrophenoxy]-4-(trifluoromethyl)benzene IUPAC Name: 2-chloro-1-[3-(2-methylprop-2-enylsulfanyl)-4-nitrophenoxy]-4-(trifluoromethyl)benzene Traditional Name: 2-chloro-1-[3-(2-methylallylthio)-4-nitro-phenoxy]-4-(trifluoromethyl)benzene Formula: C17H13ClF3NO3S MolecularWeight: 403.80323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=C)CSC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClF3NO3S/c1-10(2)9-26-16-8-12(4-5-14(16)22(23)24)25-15-6-3-11(7-13(15)18)17(19,20)21/h3-8H,1,9H2,2H3