(6-chloranyl-4-nitro-2-oxidanylidene-1,3-benzoxathiol-5-yl) 2-methylpropyl carbonate

Systemtic Name: (6-chloranyl-4-nitro-2-oxidanylidene-1,3-benzoxathiol-5-yl) 2-methylpropyl carbonate Openeye Name: (6-chloro-4-nitro-2-oxo-1,3-benzoxathiol-5-yl) isobutyl carbonate CAS Name: carbonic acid (6-chloro-4-nitro-2-oxo-1,3-benzoxathiol-5-yl) 2-methylpropyl ester IUPAC Name: (6-chloro-4-nitro-2-oxo-1,3-benzoxathiol-5-yl) 2-methylpropyl carbonate Traditional Name: carbonic acid (6-chloro-2-keto-4-nitro-1,3-benzoxathiol-5-yl) isobutyl ester Formula: C12H10ClNO7S MolecularWeight: 347.7283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)OC1=C(C=C2C(=C1[N+](=O)[O-])SC(=O)O2)Cl

Isomeric SMILES

CC(C)COC(=O)OC1=C(C=C2C(=C1[N+](=O)[O-])SC(=O)O2)Cl

InChI

InChI=1S/C12H10ClNO7S/c1-5(2)4-19-11(15)21-9-6(13)3-7-10(8(9)14(17)18)22-12(16)20-7/h3,5H,4H2,1-2H3