3-[2-(2,2-dimethylpropoxy)-1-(2,6-dinitrophenyl)-2-oxidanylidene-ethoxy]sulfonylbenzenesulfonic acid

Systemtic Name: 3-[2-(2,2-dimethylpropoxy)-1-(2,6-dinitrophenyl)-2-oxidanylidene-ethoxy]sulfonylbenzenesulfonic acid Openeye Name: 3-[2-(2,2-dimethylpropoxy)-1-(2,6-dinitrophenyl)-2-oxo-ethoxy]sulfonylbenzenesulfonic acid CAS Name: 3-[2-(2,2-dimethylpropoxy)-1-(2,6-dinitrophenyl)-2-oxoethoxy]sulfonylbenzenesulfonic acid IUPAC Name: 3-[2-(2,2-dimethylpropoxy)-1-(2,6-dinitrophenyl)-2-oxoethoxy]sulfonylbenzenesulfonic acid Traditional Name: 3-[1-(2,6-dinitrophenyl)-2-keto-2-neopentyloxy-ethoxy]sulfonylbesylic acid Formula: C19H20N2O12S2 MolecularWeight: 532.4983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)C(C1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-])OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)COC(=O)C(C1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-])OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)O

InChI

InChI=1S/C19H20N2O12S2/c1-19(2,3)11-32-18(22)17(16-14(20(23)24)8-5-9-15(16)21(25)26)33-35(30,31)13-7-4-6-12(10-13)34(27,28)29/h4-10,17H,11H2,1-3H3,(H,27,28,29)