8-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanylmethyl]-6-nitro-4H-1,3-benzodioxine

Systemtic Name: 8-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanylmethyl]-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-[(3-fluoro-4-methoxy-phenyl)methylsulfanylmethyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[[(3-fluoro-4-methoxyphenyl)methylthio]methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-[(3-fluoro-4-methoxyphenyl)methylsulfanylmethyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[[(3-fluoro-4-methoxy-benzyl)thio]methyl]-6-nitro-4H-1,3-benzodioxin Formula: C17H16FNO5S MolecularWeight: 365.376043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)F

InChI

InChI=1S/C17H16FNO5S/c1-22-16-3-2-11(4-15(16)18)8-25-9-13-6-14(19(20)21)5-12-7-23-10-24-17(12)13/h2-6H,7-10H2,1H3