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4-[(4-nitrophenyl)methylsulfanyl]-3-(trifluoromethyl)benzoic acid

4-[(4-nitrophenyl)methylsulfanyl]-3-(trifluoromethyl)benzoic acid

Systemtic Name:4-[(4-nitrophenyl)methylsulfanyl]-3-(trifluoromethyl)benzoic acid
Openeye Name:4-[(4-nitrophenyl)methylsulfanyl]-3-(trifluoromethyl)benzoic acid
CAS Name:4-[(4-nitrophenyl)methylthio]-3-(trifluoromethyl)benzoic acid
IUPAC Name:4-[(4-nitrophenyl)methylsulfanyl]-3-(trifluoromethyl)benzoic acid
Traditional Name:4-[(4-nitrobenzyl)thio]-3-(trifluoromethyl)benzoic acid
Formula: C15H10F3NO4S
MolecularWeight: 357.30441
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C=C(C=C2)C(=O)O)C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C=C(C=C2)C(=O)O)C(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C15H10F3NO4S/c16-15(17,18)12-7-10(14(20)21)3-6-13(12)24-8-9-1-4-11(5-2-9)19(22)23/h1-7H,8H2,(H,20,21)


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