7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3,4-dihydro-2H-1,5-benzodioxepine

Systemtic Name: 7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3,4-dihydro-2H-1,5-benzodioxepine Openeye Name: 7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3,4-dihydro-2H-1,5-benzodioxepine CAS Name: 7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3,4-dihydro-2H-1,5-benzodioxepin IUPAC Name: 7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3,4-dihydro-2H-1,5-benzodioxepine Traditional Name: 7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3,4-dihydro-2H-1,5-benzodioxepin Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)OC1

InChI

InChI=1S/C18H17NO6S/c20-19(21)14-6-12-9-22-11-25-18(12)13(7-14)10-26-15-2-3-16-17(8-15)24-5-1-4-23-16/h2-3,6-8H,1,4-5,9-11H2