8-[(4-methylsulfanylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine

Systemtic Name: 8-[(4-methylsulfanylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-[(4-methylsulfanylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[[4-(methylthio)phenoxy]methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-[(4-methylsulfanylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[[4-(methylthio)phenoxy]methyl]-6-nitro-4H-1,3-benzodioxin Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CSC1=CC=C(C=C1)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C16H15NO5S/c1-23-15-4-2-14(3-5-15)21-9-12-7-13(17(18)19)6-11-8-20-10-22-16(11)12/h2-7H,8-10H2,1H3