2-chloranyl-1-(4-nitro-3-propan-2-yloxysulfanyl-phenoxy)-4-(trifluoromethyl)benzene

Systemtic Name: 2-chloranyl-1-(4-nitro-3-propan-2-yloxysulfanyl-phenoxy)-4-(trifluoromethyl)benzene Openeye Name: 2-chloro-1-(3-isopropoxysulfanyl-4-nitro-phenoxy)-4-(trifluoromethyl)benzene CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzenesulfenic acid propan-2-yl ester IUPAC Name: 2-chloro-1-(4-nitro-3-propan-2-yloxysulfanylphenoxy)-4-(trifluoromethyl)benzene Traditional Name: 2-chloro-1-[3-(isopropoxythio)-4-nitro-phenoxy]-4-(trifluoromethyl)benzene Formula: C16H13ClF3NO4S MolecularWeight: 407.79193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OSC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)OSC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClF3NO4S/c1-9(2)25-26-15-8-11(4-5-13(15)21(22)23)24-14-6-3-10(7-12(14)17)16(18,19)20/h3-9H,1-2H3