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

Systemtic Name: 2-[2-(2,4-dinitrophenyl)sulfanylethyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[2-(2,4-dinitrophenyl)sulfanylethyl]-1-oxido-pyridin-1-ium CAS Name: 2-[2-[(2,4-dinitrophenyl)thio]ethyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[2-(2,4-dinitrophenyl)sulfanylethyl]-1-oxidopyridin-1-ium Traditional Name: 2-[2-[(2,4-dinitrophenyl)thio]ethyl]-1-oxido-pyridin-1-ium Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)CCSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)CCSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H11N3O5S/c17-14-7-2-1-3-10(14)6-8-22-13-5-4-11(15(18)19)9-12(13)16(20)21/h1-5,7,9H,6,8H2