sodium triphenoxy-(4-prop-2-enoxyphenyl)boranuide

Systemtic Name: sodium triphenoxy-(4-prop-2-enoxyphenyl)boranuide Openeye Name: sodium (4-allyloxyphenyl)-triphenoxy-boranuide CAS Name: sodium triphenoxy-(4-prop-2-enoxyphenyl)boranuide IUPAC Name: sodium triphenoxy-(4-prop-2-enoxyphenyl)boranuide Traditional Name: sodium (4-allyloxyphenyl)-triphenoxy-boranuide Formula: C27H24BNaO4 MolecularWeight: 446.27783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=C(C=C1)OCC=C)(OC2=CC=CC=C2)(OC3=CC=CC=C3)OC4=CC=CC=C4.[Na+]

Isomeric SMILES

[B-](C1=CC=C(C=C1)OCC=C)(OC2=CC=CC=C2)(OC3=CC=CC=C3)OC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C27H24BO4.Na/c1-2-22-29-24-20-18-23(19-21-24)28(30-25-12-6-3-7-13-25,31-26-14-8-4-9-15-26)32-27-16-10-5-11-17-27;/h2-21H,1,22H2;/q-1;+1