2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-oxido-pyridin-1-ium Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=CC=CC=[N+]3[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=CC=CC=[N+]3[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O5S/c17-15-4-2-1-3-13(15)22-8-11-6-12(16(18)19)5-10-7-20-9-21-14(10)11/h1-6H,7-9H2