(2-bromophenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: (2-bromophenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (2-bromophenyl)methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (2-bromophenyl)methyl ester IUPAC Name: (2-bromophenyl)methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (2-bromobenzyl) ester Formula: C15H12BrNO4S MolecularWeight: 382.22908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

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