(4-methylsulfanylphenyl) 2,4-dinitrobenzoate

Systemtic Name: (4-methylsulfanylphenyl) 2,4-dinitrobenzoate Openeye Name: (4-methylsulfanylphenyl) 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [4-(methylthio)phenyl] ester Formula: C14H10N2O6S MolecularWeight: 334.304

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O6S/c1-23-11-5-3-10(4-6-11)22-14(17)12-7-2-9(15(18)19)8-13(12)16(20)21/h2-8H,1H3