8-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-6-nitro-4H-1,3-benzodioxine

Systemtic Name: 8-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-6-nitro-4H-1,3-benzodioxin Formula: C17H15NO6S MolecularWeight: 361.3691

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C17H15NO6S/c19-18(20)13-5-11-8-21-10-24-17(11)12(6-13)9-25-14-1-2-15-16(7-14)23-4-3-22-15/h1-2,5-7H,3-4,8-10H2