2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]ethanol

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]ethanol Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]ethanol CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]ethanol IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]ethanol Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]ethanol Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSCCO)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSCCO)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO5S/c13-1-2-18-6-9-4-10(12(14)15)3-8-5-16-7-17-11(8)9/h3-4,13H,1-2,5-7H2