butyl 2-[(S)-[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl]ethanoate

Systemtic Name: butyl 2-[(S)-[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl]ethanoate Openeye Name: butyl 2-[(S)-[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl]acetate CAS Name: 2-[(S)-[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(S)-[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl]acetate Traditional Name: 2-[(S)-[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl]acetic acid butyl ester Formula: C13H14F3NO5S MolecularWeight: 353.31417

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CS(=O)C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C[S@](=O)C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H14F3NO5S/c1-2-3-6-22-12(18)8-23(21)11-5-4-9(13(14,15)16)7-10(11)17(19)20/h4-5,7H,2-3,6,8H2,1H3/t23-/m0/s1