(6-bromanyl-4-nitro-2-oxidanylidene-1,3-benzoxathiol-5-yl) 2-chloroethyl carbonate

Systemtic Name: (6-bromanyl-4-nitro-2-oxidanylidene-1,3-benzoxathiol-5-yl) 2-chloroethyl carbonate Openeye Name: (6-bromo-4-nitro-2-oxo-1,3-benzoxathiol-5-yl) 2-chloroethyl carbonate CAS Name: carbonic acid (6-bromo-4-nitro-2-oxo-1,3-benzoxathiol-5-yl) 2-chloroethyl ester IUPAC Name: (6-bromo-4-nitro-2-oxo-1,3-benzoxathiol-5-yl) 2-chloroethyl carbonate Traditional Name: carbonic acid (6-bromo-2-keto-4-nitro-1,3-benzoxathiol-5-yl) 2-chloroethyl ester Formula: C10H5BrClNO7S MolecularWeight: 398.5712

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=C1Br)OC(=O)OCCCl)[N+](=O)[O-])SC(=O)O2

Isomeric SMILES

C1=C2C(=C(C(=C1Br)OC(=O)OCCCl)[N+](=O)[O-])SC(=O)O2

InChI

InChI=1S/C10H5BrClNO7S/c11-4-3-5-8(21-10(15)19-5)6(13(16)17)7(4)20-9(14)18-2-1-12/h3H,1-2H2