2,2-dinitropropyl 4-methylbenzenesulfonate

Systemtic Name: 2,2-dinitropropyl 4-methylbenzenesulfonate Openeye Name: 2,2-dinitropropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2,2-dinitropropyl ester IUPAC Name: 2,2-dinitropropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2,2-dinitropropyl ester Formula: C10H12N2O7S MolecularWeight: 304.27648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O7S/c1-8-3-5-9(6-4-8)20(17,18)19-7-10(2,11(13)14)12(15)16/h3-6H,7H2,1-2H3