(2-oxidanylidene-1,3-benzoxathiol-5-yl) 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: (2-oxidanylidene-1,3-benzoxathiol-5-yl) 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: (2-oxo-1,3-benzoxathiol-5-yl) 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid (2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-1,3-benzoxathiol-5-yl) 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid (2-keto-1,3-benzoxathiol-5-yl) ester Formula: C13H6ClNO7S2 MolecularWeight: 387.77224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])SC(=O)O2

Isomeric SMILES

C1=CC2=C(C=C1OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])SC(=O)O2

InChI

InChI=1S/C13H6ClNO7S2/c14-9-3-2-8(6-10(9)15(17)18)24(19,20)22-7-1-4-11-12(5-7)23-13(16)21-11/h1-6H