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

Systemtic Name: 4-[3-(2,4-dinitrophenyl)sulfanylpropyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 4-[3-(2,4-dinitrophenyl)sulfanylpropyl]-1-oxido-pyridin-1-ium CAS Name: 4-[3-[(2,4-dinitrophenyl)thio]propyl]-1-oxidopyridin-1-ium IUPAC Name: 4-[3-(2,4-dinitrophenyl)sulfanylpropyl]-1-oxidopyridin-1-ium Traditional Name: 4-[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(C=C1[N+](=O)[O-])[N+](=O)[O-])SCCCC2=CC=[N+](C=C2)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCCCC2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C14H13N3O5S/c18-15-7-5-11(6-8-15)2-1-9-23-14-4-3-12(16(19)20)10-13(14)17(21)22/h3-8,10H,1-2,9H2