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

Systemtic Name: (2-oxidanylidene-1,3-benzoxathiol-5-yl) 2-chloranyl-5-nitro-benzenesulfonate Openeye Name: (2-oxo-1,3-benzoxathiol-5-yl) 2-chloro-5-nitro-benzenesulfonate CAS Name: 2-chloro-5-nitrobenzenesulfonic acid (2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-1,3-benzoxathiol-5-yl) 2-chloro-5-nitrobenzenesulfonate Traditional Name: 2-chloro-5-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=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)OC2=CC3=C(C=C2)OC(=O)S3)Cl

Isomeric SMILES

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

InChI

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