5-(4-methylsulfonyl-2-nitro-phenoxy)-1,3-benzodioxole

Systemtic Name: 5-(4-methylsulfonyl-2-nitro-phenoxy)-1,3-benzodioxole Openeye Name: 5-(4-methylsulfonyl-2-nitro-phenoxy)-1,3-benzodioxole CAS Name: 5-(4-methylsulfonyl-2-nitrophenoxy)-1,3-benzodioxole IUPAC Name: 5-(4-methylsulfonyl-2-nitrophenoxy)-1,3-benzodioxole Traditional Name: 5-(4-mesyl-2-nitro-phenoxy)-1,3-benzodioxole Formula: C14H11NO7S MolecularWeight: 337.30464

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO7S/c1-23(18,19)10-3-5-12(11(7-10)15(16)17)22-9-2-4-13-14(6-9)21-8-20-13/h2-7H,8H2,1H3