(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methylsulfanylbenzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methylsulfanylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H15NO6S MolecularWeight: 361.3691

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C17H15NO6S/c1-25-15-5-3-2-4-14(15)17(19)23-9-12-7-13(18(20)21)6-11-8-22-10-24-16(11)12/h2-7H,8-10H2,1H3