phenacyl 2-(2,4-dinitrophenyl)sulfanylbenzoate

Systemtic Name: phenacyl 2-(2,4-dinitrophenyl)sulfanylbenzoate Openeye Name: phenacyl 2-(2,4-dinitrophenyl)sulfanylbenzoate CAS Name: 2-[(2,4-dinitrophenyl)thio]benzoic acid phenacyl ester IUPAC Name: phenacyl 2-(2,4-dinitrophenyl)sulfanylbenzoate Traditional Name: 2-[(2,4-dinitrophenyl)thio]benzoic acid phenacyl ester Formula: C21H14N2O7S MolecularWeight: 438.41006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O7S/c24-18(14-6-2-1-3-7-14)13-30-21(25)16-8-4-5-9-19(16)31-20-11-10-15(22(26)27)12-17(20)23(28)29/h1-12H,13H2