6-(4-methylsulfonyl-2-nitro-phenoxy)-1,3-benzoxathiol-2-one

Systemtic Name: 6-(4-methylsulfonyl-2-nitro-phenoxy)-1,3-benzoxathiol-2-one Openeye Name: 6-(4-methylsulfonyl-2-nitro-phenoxy)-1,3-benzoxathiol-2-one CAS Name: 6-(4-methylsulfonyl-2-nitrophenoxy)-1,3-benzoxathiol-2-one IUPAC Name: 6-(4-methylsulfonyl-2-nitrophenoxy)-1,3-benzoxathiol-2-one Traditional Name: 6-(4-mesyl-2-nitro-phenoxy)-1,3-benzoxathiol-2-one Formula: C14H9NO7S2 MolecularWeight: 367.35376

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)SC(=O)O3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)SC(=O)O3)[N+](=O)[O-]

InChI

InChI=1S/C14H9NO7S2/c1-24(19,20)9-3-4-11(10(7-9)15(17)18)21-8-2-5-13-12(6-8)22-14(16)23-13/h2-7H,1H3