[2-[[methyl-[[10-(38-sulfanyloctatriacontyl)anthracen-9-yl]methyl]amino]methyl]phenyl]boronic acid

Systemtic Name: [2-[[methyl-[[10-(38-sulfanyloctatriacontyl)anthracen-9-yl]methyl]amino]methyl]phenyl]boronic acid Openeye Name: [2-[[methyl-[[10-(38-sulfanyloctatriacontyl)-9-anthryl]methyl]amino]methyl]phenyl]boronic acid CAS Name: [2-[[[10-(38-mercaptooctatriacontyl)-9-anthracenyl]methyl-methylamino]methyl]phenyl]boronic acid IUPAC Name: [2-[[methyl-[[10-(38-sulfanyloctatriacontyl)anthracen-9-yl]methyl]amino]methyl]phenyl]boronic acid Traditional Name: [2-[[[10-(38-mercaptooctatriacontyl)-9-anthryl]methyl-methyl-amino]methyl]phenyl]boronic acid Formula: C61H98BNO2S MolecularWeight: 920.31232

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=CC=C1CN(C)CC2=C3C=CC=CC3=C(C4=CC=CC=C42)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS)(O)O

Isomeric SMILES

B(C1=CC=CC=C1CN(C)CC2=C3C=CC=CC3=C(C4=CC=CC=C42)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS)(O)O

InChI

InChI=1S/C61H98BNO2S/c1-63(52-54-44-37-42-50-61(54)62(64)65)53-60-58-48-40-38-46-56(58)55(57-47-39-41-49-59(57)60)45-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43-51-66/h37-42,44,46-50,64-66H,2-36,43,45,51-53H2,1H3