(2-oxidanylidene-1,3-benzoxathiol-6-yl) 4-nitrobenzenesulfonate

Systemtic Name: (2-oxidanylidene-1,3-benzoxathiol-6-yl) 4-nitrobenzenesulfonate Openeye Name: (2-oxo-1,3-benzoxathiol-6-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-oxo-1,3-benzoxathiol-6-yl) ester IUPAC Name: (2-oxo-1,3-benzoxathiol-6-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-keto-1,3-benzoxathiol-6-yl) ester Formula: C13H7NO7S2 MolecularWeight: 353.32718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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