[3-nitro-5-[(2-oxidanylidene-1,3-benzoxathiol-6-yl)oxycarbonyl]phenyl]boronic acid

Systemtic Name: [3-nitro-5-[(2-oxidanylidene-1,3-benzoxathiol-6-yl)oxycarbonyl]phenyl]boronic acid Openeye Name: [3-nitro-5-[(2-oxo-1,3-benzoxathiol-6-yl)oxycarbonyl]phenyl]boronic acid CAS Name: [3-nitro-5-[oxo-[(2-oxo-1,3-benzoxathiol-6-yl)oxy]methyl]phenyl]boronic acid IUPAC Name: [3-nitro-5-[(2-oxo-1,3-benzoxathiol-6-yl)oxycarbonyl]phenyl]boronic acid Traditional Name: [3-[(2-keto-1,3-benzoxathiol-6-yl)oxycarbonyl]-5-nitro-phenyl]boronic acid Formula: C14H8BNO8S MolecularWeight: 361.09122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8BNO8S/c17-13(7-3-8(15(19)20)5-9(4-7)16(21)22)23-10-1-2-12-11(6-10)24-14(18)25-12/h1-6,19-20H