[3-[8-(2-nitrophenoxy)octoxycarbonyl]phenyl]boronic acid

Systemtic Name: [3-[8-(2-nitrophenoxy)octoxycarbonyl]phenyl]boronic acid Openeye Name: [3-[8-(2-nitrophenoxy)octoxycarbonyl]phenyl]boronic acid CAS Name: [3-[8-(2-nitrophenoxy)octoxy-oxomethyl]phenyl]boronic acid IUPAC Name: [3-[8-(2-nitrophenoxy)octoxycarbonyl]phenyl]boronic acid Traditional Name: [3-[8-(2-nitrophenoxy)octoxycarbonyl]phenyl]boronic acid Formula: C21H26BNO7 MolecularWeight: 415.24464

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)C(=O)OCCCCCCCCOC2=CC=CC=C2[N+](=O)[O-])(O)O

Isomeric SMILES

B(C1=CC(=CC=C1)C(=O)OCCCCCCCCOC2=CC=CC=C2[N+](=O)[O-])(O)O

InChI

InChI=1S/C21H26BNO7/c24-21(17-10-9-11-18(16-17)22(25)26)30-15-8-4-2-1-3-7-14-29-20-13-6-5-12-19(20)23(27)28/h5-6,9-13,16,25-26H,1-4,7-8,14-15H2