butyl 2-(2-nitro-1-phenyl-ethyl)sulfanylethanoate

Systemtic Name: butyl 2-(2-nitro-1-phenyl-ethyl)sulfanylethanoate Openeye Name: butyl 2-(2-nitro-1-phenyl-ethyl)sulfanylacetate CAS Name: 2-[(2-nitro-1-phenylethyl)thio]acetic acid butyl ester IUPAC Name: butyl 2-(2-nitro-1-phenylethyl)sulfanylacetate Traditional Name: 2-[(2-nitro-1-phenyl-ethyl)thio]acetic acid butyl ester Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC(C[N+](=O)[O-])C1=CC=CC=C1

Isomeric SMILES

CCCCOC(=O)CSC(C[N+](=O)[O-])C1=CC=CC=C1

InChI

InChI=1S/C14H19NO4S/c1-2-3-9-19-14(16)11-20-13(10-15(17)18)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3