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

Systemtic Name: 2-[3-(2,4-dinitrophenyl)sulfanylpropyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[3-(2,4-dinitrophenyl)sulfanylpropyl]-1-oxido-pyridin-1-ium CAS Name: 2-[3-[(2,4-dinitrophenyl)thio]propyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[3-(2,4-dinitrophenyl)sulfanylpropyl]-1-oxidopyridin-1-ium Traditional Name: 2-[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=[N+](C(=C1)CCCSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]

Isomeric SMILES

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

InChI

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