6-(furan-2-ylmethylsulfanyl)-7-nitro-2,3-dihydro-1,4-benzodioxine

Systemtic Name: 6-(furan-2-ylmethylsulfanyl)-7-nitro-2,3-dihydro-1,4-benzodioxine Openeye Name: 6-(2-furylmethylsulfanyl)-7-nitro-2,3-dihydro-1,4-benzodioxine CAS Name: 6-(2-furanylmethylthio)-7-nitro-2,3-dihydro-1,4-benzodioxin IUPAC Name: 6-(furan-2-ylmethylsulfanyl)-7-nitro-2,3-dihydro-1,4-benzodioxine Traditional Name: 6-(2-furfurylthio)-7-nitro-2,3-dihydro-1,4-benzodioxin Formula: C13H11NO5S MolecularWeight: 293.29514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)SCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)SCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO5S/c15-14(16)10-6-11-12(19-5-4-18-11)7-13(10)20-8-9-2-1-3-17-9/h1-3,6-7H,4-5,8H2