S-[2-nitro-4-(trifluoromethyl)phenyl] 4-oxidanylbenzenecarbothioate

Systemtic Name: S-[2-nitro-4-(trifluoromethyl)phenyl] 4-oxidanylbenzenecarbothioate Openeye Name: S-[2-nitro-4-(trifluoromethyl)phenyl] 4-hydroxybenzenecarbothioate CAS Name: 4-hydroxybenzenecarbothioic acid S-[2-nitro-4-(trifluoromethyl)phenyl] ester IUPAC Name: S-[2-nitro-4-(trifluoromethyl)phenyl] 4-hydroxybenzenecarbothioate Traditional Name: 4-hydroxythiobenzoic acid S-[2-nitro-4-(trifluoromethyl)phenyl] ester Formula: C14H8F3NO4S MolecularWeight: 343.27783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1C(=O)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C14H8F3NO4S/c15-14(16,17)9-3-6-12(11(7-9)18(21)22)23-13(20)8-1-4-10(19)5-2-8/h1-7,19H