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

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1-oxido-pyridin-1-ium Formula: C14H12ClNO3S MolecularWeight: 309.76798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClNO3S/c15-12-5-10-7-18-9-19-14(10)11(6-12)8-20-13-3-1-2-4-16(13)17/h1-6H,7-9H2