Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1′,1′′-triester with boric acid (H3BO3)

CAS Registry Number®

68443-37-8
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CAS Name

Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1′,1′′-triester with boric acid (H3BO3)

Molecular Formula

C45H45BO3

Molecular Mass

644.65

Cite this Page

Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1′,1′′-triester with boric acid (H3BO3).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68443-37-8 (retrieved 2024-08-28) (CAS RN: 68443-37-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H45BO3/c1-43(2,34-16-10-7-11-17-34)37-22-28-40(29-23-37)47-46(48-41-30-24-38(25-31-41)44(3,4)35-18-12-8-13-19-35)49-42-32-26-39(27-33-42)45(5,6)36-20-14-9-15-21-36/h7-33H,1-6H3

InChIKey

InChIKey=SCTUIUGUZVVWEX-UHFFFAOYSA-N

SMILES

C(C)(C)(C1=CC=C(OB(OC2=CC=C(C(C)(C)C3=CC=CC=C3)C=C2)OC4=CC=C(C(C)(C)C5=CC=CC=C5)C=C4)C=C1)C6=CC=CC=C6

Canonical SMILES

O(B(OC1=CC=C(C=C1)C(C=2C=CC=CC2)(C)C)OC3=CC=C(C=C3)C(C=4C=CC=CC4)(C)C)C5=CC=C(C=C5)C(C=6C=CC=CC6)(C)C

Other Names for this Substance

  • Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1′,1′′-triester with boric acid (H3BO3)
  • Phenol, 4-(1-methyl-1-phenylethyl)-, triester with boric acid (H3BO3)