ethanoic acid; tris[2-[(phenylmethyl)amino]ethyl] borate

Systemtic Name: ethanoic acid; tris[2-[(phenylmethyl)amino]ethyl] borate Openeye Name: acetic acid; tris[2-(benzylamino)ethyl] borate CAS Name: acetic acid; tris[2-[(phenylmethyl)amino]ethyl] borate IUPAC Name: acetic acid; tris[2-(benzylamino)ethyl] borate Traditional Name: acetic acid; tris[2-(benzylamino)ethyl] borate Formula: C29H40BN3O5 MolecularWeight: 521.456

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Descriptors Computed from Structure

Canonical SMILES:

B(OCCNCC1=CC=CC=C1)(OCCNCC2=CC=CC=C2)OCCNCC3=CC=CC=C3.CC(=O)O

Isomeric SMILES

B(OCCNCC1=CC=CC=C1)(OCCNCC2=CC=CC=C2)OCCNCC3=CC=CC=C3.CC(=O)O

InChI

InChI=1S/C27H36BN3O3.C2H4O2/c1-4-10-25(11-5-1)22-29-16-19-32-28(33-20-17-30-23-26-12-6-2-7-13-26)34-21-18-31-24-27-14-8-3-9-15-27;1-2(3)4/h1-15,29-31H,16-24H2;1H3,(H,3,4)