2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-oxido-pyridin-1-ium Formula: C14H12BrNO3S MolecularWeight: 354.21898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C14H12BrNO3S/c15-11-8-13-12(18-5-6-19-13)7-10(11)9-20-14-3-1-2-4-16(14)17/h1-4,7-8H,5-6,9H2