(4-bromophenyl) 3-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: (4-bromophenyl) 3-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (4-bromophenyl) 3-(4-nitrophenyl)sulfanylpropanoate CAS Name: 3-[(4-nitrophenyl)thio]propanoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 3-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-nitrophenyl)thio]propionic acid (4-bromophenyl) ester Formula: C15H12BrNO4S MolecularWeight: 382.22908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCCC(=O)OC2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCCC(=O)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H12BrNO4S/c16-11-1-5-13(6-2-11)21-15(18)9-10-22-14-7-3-12(4-8-14)17(19)20/h1-8H,9-10H2