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cyanomethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

cyanomethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Systemtic Name:cyanomethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate
Openeye Name:cyanomethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate
CAS Name:2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid cyanomethyl ester
IUPAC Name:cyanomethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate
Traditional Name:2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid cyanomethyl ester
Formula: C16H9F3N2O4S
MolecularWeight: 382.31387
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC#N)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC#N)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C16H9F3N2O4S/c17-16(18,19)10-5-6-14(12(9-10)21(23)24)26-13-4-2-1-3-11(13)15(22)25-8-7-20/h1-6,9H,8H2


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