(4-iodophenyl)methyl 2-(4-nitrophenyl)sulfanylbenzoate

Systemtic Name: (4-iodophenyl)methyl 2-(4-nitrophenyl)sulfanylbenzoate Openeye Name: (4-iodophenyl)methyl 2-(4-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(4-nitrophenyl)thio]benzoic acid (4-iodophenyl)methyl ester IUPAC Name: (4-iodophenyl)methyl 2-(4-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(4-nitrophenyl)thio]benzoic acid (4-iodobenzyl) ester Formula: C20H14INO4S MolecularWeight: 491.29893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14INO4S/c21-15-7-5-14(6-8-15)13-26-20(23)18-3-1-2-4-19(18)27-17-11-9-16(10-12-17)22(24)25/h1-12H,13H2