(4-bromophenyl)methyl 2-(2,4-dinitrophenyl)sulfanylbenzoate

Systemtic Name: (4-bromophenyl)methyl 2-(2,4-dinitrophenyl)sulfanylbenzoate Openeye Name: (4-bromophenyl)methyl 2-(2,4-dinitrophenyl)sulfanylbenzoate CAS Name: 2-[(2,4-dinitrophenyl)thio]benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(2,4-dinitrophenyl)sulfanylbenzoate Traditional Name: 2-[(2,4-dinitrophenyl)thio]benzoic acid (4-bromobenzyl) ester Formula: C20H13BrN2O6S MolecularWeight: 489.29602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)Br)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)Br)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H13BrN2O6S/c21-14-7-5-13(6-8-14)12-29-20(24)16-3-1-2-4-18(16)30-19-10-9-15(22(25)26)11-17(19)23(27)28/h1-11H,12H2