[3-[9-(2-nitrophenoxy)nonoxycarbonyl]phenyl]boronic acid

Systemtic Name: [3-[9-(2-nitrophenoxy)nonoxycarbonyl]phenyl]boronic acid Openeye Name: [3-[9-(2-nitrophenoxy)nonoxycarbonyl]phenyl]boronic acid CAS Name: [3-[9-(2-nitrophenoxy)nonoxy-oxomethyl]phenyl]boronic acid IUPAC Name: [3-[9-(2-nitrophenoxy)nonoxycarbonyl]phenyl]boronic acid Traditional Name: [3-[9-(2-nitrophenoxy)nonoxycarbonyl]phenyl]boronic acid Formula: C22H28BNO7 MolecularWeight: 429.27122

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)C(=O)OCCCCCCCCCOC2=CC=CC=C2[N+](=O)[O-])(O)O

Isomeric SMILES

B(C1=CC(=CC=C1)C(=O)OCCCCCCCCCOC2=CC=CC=C2[N+](=O)[O-])(O)O

InChI

InChI=1S/C22H28BNO7/c25-22(18-11-10-12-19(17-18)23(26)27)31-16-9-5-3-1-2-4-8-15-30-21-14-7-6-13-20(21)24(28)29/h6-7,10-14,17,26-27H,1-5,8-9,15-16H2