2-(2-methyl-3,5-dinitro-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(2-methyl-3,5-dinitro-phenyl)sulfanylethanoic acid Openeye Name: 2-(2-methyl-3,5-dinitro-phenyl)sulfanylacetic acid CAS Name: 2-[(2-methyl-3,5-dinitrophenyl)thio]acetic acid IUPAC Name: 2-(2-methyl-3,5-dinitrophenyl)sulfanylacetic acid Traditional Name: 2-[(2-methyl-3,5-dinitro-phenyl)thio]acetic acid Formula: C9H8N2O6S MolecularWeight: 272.23462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1SCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1SCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H8N2O6S/c1-5-7(11(16)17)2-6(10(14)15)3-8(5)18-4-9(12)13/h2-3H,4H2,1H3,(H,12,13)