(2-propan-2-ylphenyl) 4-methyl-3,5-dinitro-benzenesulfonate

Systemtic Name: (2-propan-2-ylphenyl) 4-methyl-3,5-dinitro-benzenesulfonate Openeye Name: (2-isopropylphenyl) 4-methyl-3,5-dinitro-benzenesulfonate CAS Name: 4-methyl-3,5-dinitrobenzenesulfonic acid (2-propan-2-ylphenyl) ester IUPAC Name: (2-propan-2-ylphenyl) 4-methyl-3,5-dinitrobenzenesulfonate Traditional Name: 4-methyl-3,5-dinitro-benzenesulfonic acid o-cumenyl ester Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O7S/c1-10(2)13-6-4-5-7-16(13)25-26(23,24)12-8-14(17(19)20)11(3)15(9-12)18(21)22/h4-10H,1-3H3