(4-bromophenyl)methyl 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: (4-bromophenyl)methyl 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: (4-bromophenyl)methyl 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid (4-bromobenzyl) ester Formula: C20H14BrNO4S MolecularWeight: 444.29846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H14BrNO4S/c21-16-9-6-14(7-10-16)13-26-20(23)15-8-11-19(18(12-15)22(24)25)27-17-4-2-1-3-5-17/h1-12H,13H2