1-(2,4-dinitrophenyl)pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-(2,4-dinitrophenyl)pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-(2,4-dinitrophenyl)pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-(2,4-dinitrophenyl)pyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-(2,4-dinitrophenyl)pyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-(2,4-dinitrophenyl)pyridin-1-ium tosylate Formula: C18H15N3O7S MolecularWeight: 417.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=[N+](C=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=[N+](C=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H8N3O4.C7H8O3S/c15-13(16)9-4-5-10(11(8-9)14(17)18)12-6-2-1-3-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H;2-5H,1H3,(H,8,9,10)/q+1;/p-1