(2-chloranyl-6-fluoranyl-phenyl)methyl 3-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-(4-nitrophenyl)sulfanylpropanoate CAS Name: 3-[(4-nitrophenyl)thio]propanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-nitrophenyl)thio]propionic acid (2-chloro-6-fluoro-benzyl) ester Formula: C16H13ClFNO4S MolecularWeight: 369.795123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)COC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)COC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C16H13ClFNO4S/c17-14-2-1-3-15(18)13(14)10-23-16(20)8-9-24-12-6-4-11(5-7-12)19(21)22/h1-7H,8-10H2