2-(2,4-dimethyl-3,5-dinitro-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(2,4-dimethyl-3,5-dinitro-phenyl)sulfanylethanoic acid Openeye Name: 2-(2,4-dimethyl-3,5-dinitro-phenyl)sulfanylacetic acid CAS Name: 2-[(2,4-dimethyl-3,5-dinitrophenyl)thio]acetic acid IUPAC Name: 2-(2,4-dimethyl-3,5-dinitrophenyl)sulfanylacetic acid Traditional Name: 2-[(2,4-dimethyl-3,5-dinitro-phenyl)thio]acetic acid Formula: C10H10N2O6S MolecularWeight: 286.2612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1[N+](=O)[O-])SCC(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1[N+](=O)[O-])SCC(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O6S/c1-5-7(11(15)16)3-8(19-4-9(13)14)6(2)10(5)12(17)18/h3H,4H2,1-2H3,(H,13,14)