8-[3-(3,5-dimethylphenoxy)propylsulfanylmethyl]-6-nitro-4H-1,3-benzodioxine

Systemtic Name: 8-[3-(3,5-dimethylphenoxy)propylsulfanylmethyl]-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-[3-(3,5-dimethylphenoxy)propylsulfanylmethyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[[3-(3,5-dimethylphenoxy)propylthio]methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-[3-(3,5-dimethylphenoxy)propylsulfanylmethyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[[3-(3,5-dimethylphenoxy)propylthio]methyl]-6-nitro-4H-1,3-benzodioxin Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCSCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCSCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

InChI

InChI=1S/C20H23NO5S/c1-14-6-15(2)8-19(7-14)25-4-3-5-27-12-17-10-18(21(22)23)9-16-11-24-13-26-20(16)17/h6-10H,3-5,11-13H2,1-2H3