tris[(E)-octadec-9-enyl] borate

Systemtic Name: tris[(E)-octadec-9-enyl] borate Openeye Name: tris[(E)-octadec-9-enyl] borate CAS Name: tris[(E)-octadec-9-enyl] borate IUPAC Name: tris[(E)-octadec-9-enyl] borate Traditional Name: tris[(E)-octadec-9-enyl] borate Formula: C54H105BO3 MolecularWeight: 813.2207

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Descriptors Computed from Structure

Canonical SMILES:

B(OCCCCCCCCC=CCCCCCCCC)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

B(OCCCCCCCC/C=C/CCCCCCCC)(OCCCCCCCC/C=C/CCCCCCCC)OCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C54H105BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-55(57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-54H2,1-3H3/b28-25+,29-26+,30-27+