2,2-dimethylpropyl 2-(2,6-dinitrophenyl)-2-(4-methylphenyl)sulfonyloxy-ethanoate

Systemtic Name: 2,2-dimethylpropyl 2-(2,6-dinitrophenyl)-2-(4-methylphenyl)sulfonyloxy-ethanoate Openeye Name: 2,2-dimethylpropyl 2-(2,6-dinitrophenyl)-2-(p-tolylsulfonyloxy)acetate CAS Name: 2-(2,6-dinitrophenyl)-2-(4-methylphenyl)sulfonyloxyacetic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 2-(2,6-dinitrophenyl)-2-(4-methylphenyl)sulfonyloxyacetate Traditional Name: 2-(2,6-dinitrophenyl)-2-tosyloxy-acetic acid neopentyl ester Formula: C20H22N2O9S MolecularWeight: 466.46168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC(C)(C)C

InChI

InChI=1S/C20H22N2O9S/c1-13-8-10-14(11-9-13)32(28,29)31-18(19(23)30-12-20(2,3)4)17-15(21(24)25)6-5-7-16(17)22(26)27/h5-11,18H,12H2,1-4H3