1-(2,4-dinitrophenyl)-2,2-diethoxy-propan-1-amine; 4-methylbenzenesulfonic acid

Systemtic Name: 1-(2,4-dinitrophenyl)-2,2-diethoxy-propan-1-amine; 4-methylbenzenesulfonic acid Openeye Name: 1-(2,4-dinitrophenyl)-2,2-diethoxy-propan-1-amine; 4-methylbenzenesulfonic acid CAS Name: 1-(2,4-dinitrophenyl)-2,2-diethoxy-1-propanamine; 4-methylbenzenesulfonic acid IUPAC Name: 1-(2,4-dinitrophenyl)-2,2-diethoxypropan-1-amine; 4-methylbenzenesulfonic acid Traditional Name: [1-(2,4-dinitrophenyl)-2,2-diethoxy-propyl]amine; tosylic acid Formula: C20H27N3O9S MolecularWeight: 485.50808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O6.C7H8O3S/c1-4-21-13(3,22-5-2)12(14)10-7-6-9(15(17)18)8-11(10)16(19)20;1-6-2-4-7(5-3-6)11(8,9)10/h6-8,12H,4-5,14H2,1-3H3;2-5H,1H3,(H,8,9,10)