2-[(2,4-dinitrophenyl)methylsulfanyl]benzoate

Systemtic Name: 2-[(2,4-dinitrophenyl)methylsulfanyl]benzoate Openeye Name: 2-[(2,4-dinitrophenyl)methylsulfanyl]benzoate CAS Name: 2-[(2,4-dinitrophenyl)methylthio]benzoate IUPAC Name: 2-[(2,4-dinitrophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(2,4-dinitrobenzyl)thio]benzoate Formula: C14H9N2O6S- MolecularWeight: 333.29606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SCC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SCC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O6S/c17-14(18)11-3-1-2-4-13(11)23-8-9-5-6-10(15(19)20)7-12(9)16(21)22/h1-7H,8H2,(H,17,18)/p-1