[4-[8-(2-nitrophenoxy)octoxycarbonyl]phenyl]boronic acid

Systemtic Name: [4-[8-(2-nitrophenoxy)octoxycarbonyl]phenyl]boronic acid Openeye Name: [4-[8-(2-nitrophenoxy)octoxycarbonyl]phenyl]boronic acid CAS Name: [4-[8-(2-nitrophenoxy)octoxy-oxomethyl]phenyl]boronic acid IUPAC Name: [4-[8-(2-nitrophenoxy)octoxycarbonyl]phenyl]boronic acid Traditional Name: [4-[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=C(C=C1)C(=O)OCCCCCCCCOC2=CC=CC=C2[N+](=O)[O-])(O)O

Isomeric SMILES

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

InChI

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