1-(2,4-dinitrophenyl)-4-phenyl-pyridin-1-ium; tridecane-1-sulfonate

Systemtic Name: 1-(2,4-dinitrophenyl)-4-phenyl-pyridin-1-ium; tridecane-1-sulfonate Openeye Name: 1-(2,4-dinitrophenyl)-4-phenyl-pyridin-1-ium; tridecane-1-sulfonate CAS Name: 1-(2,4-dinitrophenyl)-4-phenylpyridin-1-ium; 1-tridecanesulfonate IUPAC Name: 1-(2,4-dinitrophenyl)-4-phenylpyridin-1-ium; tridecane-1-sulfonate Traditional Name: 1-(2,4-dinitrophenyl)-4-phenyl-pyridin-1-ium; tridecane-1-sulfonate Formula: C30H39N3O7S MolecularWeight: 585.71156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCS(=O)(=O)[O-].C1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCS(=O)(=O)[O-].C1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N3O4.C13H28O3S/c21-19(22)15-6-7-16(17(12-15)20(23)24)18-10-8-14(9-11-18)13-4-2-1-3-5-13;1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16/h1-12H;2-13H2,1H3,(H,14,15,16)/q+1;/p-1