[2-[[methyl-[[10-(34-sulfanyltetratriacontyl)anthracen-9-yl]methyl]amino]methyl]phenyl]boronic acid

Systemtic Name: [2-[[methyl-[[10-(34-sulfanyltetratriacontyl)anthracen-9-yl]methyl]amino]methyl]phenyl]boronic acid Openeye Name: [2-[[methyl-[[10-(34-sulfanyltetratriacontyl)-9-anthryl]methyl]amino]methyl]phenyl]boronic acid CAS Name: [2-[[[10-(34-mercaptotetratriacontyl)-9-anthracenyl]methyl-methylamino]methyl]phenyl]boronic acid IUPAC Name: [2-[[methyl-[[10-(34-sulfanyltetratriacontyl)anthracen-9-yl]methyl]amino]methyl]phenyl]boronic acid Traditional Name: [2-[[[10-(34-mercaptotetratriacontyl)-9-anthryl]methyl-methyl-amino]methyl]phenyl]boronic acid Formula: C57H90BNO2S MolecularWeight: 864.206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C57H90BNO2S/c1-59(48-50-40-33-38-46-57(50)58(60)61)49-56-54-44-36-34-42-52(54)51(53-43-35-37-45-55(53)56)41-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-47-62/h33-38,40,42-46,60-62H,2-32,39,41,47-49H2,1H3