[3-(1,3-benzodioxol-5-yl)-1-(triphenylmethyl)pyrazol-4-yl]boronic acid

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-(triphenylmethyl)pyrazol-4-yl]boronic acid Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-trityl-pyrazol-4-yl]boronic acid CAS Name: [3-(1,3-benzodioxol-5-yl)-1-(triphenylmethyl)-4-pyrazolyl]boronic acid IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-tritylpyrazol-4-yl]boronic acid Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-trityl-pyrazol-4-yl]boronic acid Formula: C29H23BN2O4 MolecularWeight: 474.31492

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CN(N=C1C2=CC3=C(C=C2)OCO3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(O)O

Isomeric SMILES

B(C1=CN(N=C1C2=CC3=C(C=C2)OCO3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(O)O

InChI

InChI=1S/C29H23BN2O4/c33-30(34)25-19-32(31-28(25)21-16-17-26-27(18-21)36-20-35-26)29(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,33-34H,20H2