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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methylsulfonylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H15NO8S MolecularWeight: 393.3679

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C17H15NO8S/c1-27(22,23)15-5-3-2-4-14(15)17(19)25-9-12-7-13(18(20)21)6-11-8-24-10-26-16(11)12/h2-7H,8-10H2,1H3