6-(4-methylsulfonyl-2-nitro-phenoxy)-2,3-dihydro-1,4-benzodioxine

Systemtic Name: 6-(4-methylsulfonyl-2-nitro-phenoxy)-2,3-dihydro-1,4-benzodioxine Openeye Name: 6-(4-methylsulfonyl-2-nitro-phenoxy)-2,3-dihydro-1,4-benzodioxine CAS Name: 6-(4-methylsulfonyl-2-nitrophenoxy)-2,3-dihydro-1,4-benzodioxin IUPAC Name: 6-(4-methylsulfonyl-2-nitrophenoxy)-2,3-dihydro-1,4-benzodioxine Traditional Name: 6-(4-mesyl-2-nitro-phenoxy)-2,3-dihydro-1,4-benzodioxin Formula: C15H13NO7S MolecularWeight: 351.33122

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO7S/c1-24(19,20)11-3-5-13(12(9-11)16(17)18)23-10-2-4-14-15(8-10)22-7-6-21-14/h2-5,8-9H,6-7H2,1H3