butyl 2-(3,4-dimethylphenyl)propaneperoxoate; 2,4-dinitrobenzenesulfonamide

Systemtic Name: butyl 2-(3,4-dimethylphenyl)propaneperoxoate; 2,4-dinitrobenzenesulfonamide Openeye Name: butyl 2-(3,4-dimethylphenyl)propaneperoxoate; 2,4-dinitrobenzenesulfonamide CAS Name: 2-(3,4-dimethylphenyl)propaneperoxoic acid butyl ester; 2,4-dinitrobenzenesulfonamide IUPAC Name: butyl 2-(3,4-dimethylphenyl)propaneperoxoate; 2,4-dinitrobenzenesulfonamide Traditional Name: 2-(3,4-dimethylphenyl)peroxypropionic acid butyl ester; 2,4-dinitrobenzenesulfonamide Formula: C21H27N3O9S MolecularWeight: 497.51878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOOC(=O)C(C)C1=CC(=C(C=C1)C)C.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

CCCCOOC(=O)C(C)C1=CC(=C(C=C1)C)C.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C15H22O3.C6H5N3O6S/c1-5-6-9-17-18-15(16)13(4)14-8-7-11(2)12(3)10-14;7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h7-8,10,13H,5-6,9H2,1-4H3;1-3H,(H2,7,14,15)