[2-[[(1-anthracen-9-yl-6-oxidanyl-hexyl)amino]methyl]phenyl]boronic acid

Systemtic Name: [2-[[(1-anthracen-9-yl-6-oxidanyl-hexyl)amino]methyl]phenyl]boronic acid Openeye Name: [2-[[[1-(9-anthryl)-6-hydroxy-hexyl]amino]methyl]phenyl]boronic acid CAS Name: [2-[[[1-(9-anthracenyl)-6-hydroxyhexyl]amino]methyl]phenyl]boronic acid IUPAC Name: [2-[[(1-anthracen-9-yl-6-hydroxyhexyl)amino]methyl]phenyl]boronic acid Traditional Name: [2-[[[1-(9-anthryl)-6-hydroxy-hexyl]amino]methyl]phenyl]boronic acid Formula: C27H30BNO3 MolecularWeight: 427.343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=CC=C1CNC(CCCCCO)C2=C3C=CC=CC3=CC4=CC=CC=C42)(O)O

Isomeric SMILES

B(C1=CC=CC=C1CNC(CCCCCO)C2=C3C=CC=CC3=CC4=CC=CC=C42)(O)O

InChI

InChI=1S/C27H30BNO3/c30-17-9-1-2-16-26(29-19-22-12-5-8-15-25(22)28(31)32)27-23-13-6-3-10-20(23)18-21-11-4-7-14-24(21)27/h3-8,10-15,18,26,29-32H,1-2,9,16-17,19H2