2-chloranyl-1-(4-nitro-3-prop-2-enylsulfanyl-phenoxy)-4-(trifluoromethyl)benzene

Systemtic Name: 2-chloranyl-1-(4-nitro-3-prop-2-enylsulfanyl-phenoxy)-4-(trifluoromethyl)benzene Openeye Name: 1-(3-allylsulfanyl-4-nitro-phenoxy)-2-chloro-4-(trifluoromethyl)benzene CAS Name: 2-chloro-1-[4-nitro-3-(prop-2-enylthio)phenoxy]-4-(trifluoromethyl)benzene IUPAC Name: 2-chloro-1-(4-nitro-3-prop-2-enylsulfanylphenoxy)-4-(trifluoromethyl)benzene Traditional Name: 1-[3-(allylthio)-4-nitro-phenoxy]-2-chloro-4-(trifluoromethyl)benzene Formula: C16H11ClF3NO3S MolecularWeight: 389.77665

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClF3NO3S/c1-2-7-25-15-9-11(4-5-13(15)21(22)23)24-14-6-3-10(8-12(14)17)16(18,19)20/h2-6,8-9H,1,7H2