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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

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