(2-oxidanylidene-1,3-benzoxathiol-5-yl) 3-nitrobenzenesulfonate

Systemtic Name: (2-oxidanylidene-1,3-benzoxathiol-5-yl) 3-nitrobenzenesulfonate Openeye Name: (2-oxo-1,3-benzoxathiol-5-yl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-1,3-benzoxathiol-5-yl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (2-keto-1,3-benzoxathiol-5-yl) ester Formula: C13H7NO7S2 MolecularWeight: 353.32718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC3=C(C=C2)OC(=O)S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC3=C(C=C2)OC(=O)S3)[N+](=O)[O-]

InChI

InChI=1S/C13H7NO7S2/c15-13-20-11-5-4-9(7-12(11)22-13)21-23(18,19)10-3-1-2-8(6-10)14(16)17/h1-7H