butyl 4-[(4-methylphenyl)sulfonyloxymethyl]-3,5-dinitro-benzoate

Systemtic Name: butyl 4-[(4-methylphenyl)sulfonyloxymethyl]-3,5-dinitro-benzoate Openeye Name: butyl 3,5-dinitro-4-(p-tolylsulfonyloxymethyl)benzoate CAS Name: 4-[(4-methylphenyl)sulfonyloxymethyl]-3,5-dinitrobenzoic acid butyl ester IUPAC Name: butyl 4-[(4-methylphenyl)sulfonyloxymethyl]-3,5-dinitrobenzoate Traditional Name: 3,5-dinitro-4-(tosyloxymethyl)benzoic acid butyl ester Formula: C19H20N2O9S MolecularWeight: 452.4351

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])COS(=O)(=O)C2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])COS(=O)(=O)C2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O9S/c1-3-4-9-29-19(22)14-10-17(20(23)24)16(18(11-14)21(25)26)12-30-31(27,28)15-7-5-13(2)6-8-15/h5-8,10-11H,3-4,9,12H2,1-2H3