3-[3-(2,4-dinitrophenyl)sulfanylpropyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 3-[3-(2,4-dinitrophenyl)sulfanylpropyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 3-[3-(2,4-dinitrophenyl)sulfanylpropyl]-1-oxido-pyridin-1-ium CAS Name: 3-[3-[(2,4-dinitrophenyl)thio]propyl]-1-oxidopyridin-1-ium IUPAC Name: 3-[3-(2,4-dinitrophenyl)sulfanylpropyl]-1-oxidopyridin-1-ium Traditional Name: 3-[3-[(2,4-dinitrophenyl)thio]propyl]-1-oxido-pyridin-1-ium Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])CCCSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])CCCSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5S/c18-15-7-1-3-11(10-15)4-2-8-23-14-6-5-12(16(19)20)9-13(14)17(21)22/h1,3,5-7,9-10H,2,4,8H2