3-[3-(benzotriazol-2-yl)-5-methyl-4-oxidanyl-phenyl]propanoyloxy-octyl-boron

Systemtic Name: 3-[3-(benzotriazol-2-yl)-5-methyl-4-oxidanyl-phenyl]propanoyloxy-octyl-boron Openeye Name: 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-methyl-phenyl]propanoyloxy-octyl-boron CAS Name: [3-[3-(2-benzotriazolyl)-4-hydroxy-5-methylphenyl]-1-oxopropoxy]-octylboron IUPAC Name: 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-methylphenyl]propanoyloxy-octylboron Traditional Name: 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-methyl-phenyl]propanoyloxy-octyl-boron Formula: C24H31BN3O3 MolecularWeight: 420.33224

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Descriptors Computed from Structure

Canonical SMILES:

[B](CCCCCCCC)OC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C

Isomeric SMILES

[B](CCCCCCCC)OC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C

InChI

InChI=1S/C24H31BN3O3/c1-3-4-5-6-7-10-15-25-31-23(29)14-13-19-16-18(2)24(30)22(17-19)28-26-20-11-8-9-12-21(20)27-28/h8-9,11-12,16-17,30H,3-7,10,13-15H2,1-2H3