1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4′,4′′-phosphate

CAS Registry Number®

21214-39-1
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CAS Name

1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4′,4′′-phosphate

Molecular Formula

C30H39O7P

Molecular Mass

542.60

Cite this Page

1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4′,4′′-phosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21214-39-1 (retrieved 2024-09-21) (CAS RN: 21214-39-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H39O7P/c1-28(2,3)22-16-19(10-13-25(22)31)35-38(34,36-20-11-14-26(32)23(17-20)29(4,5)6)37-21-12-15-27(33)24(18-21)30(7,8)9/h10-18,31-33H,1-9H3

InChIKey

InChIKey=KNZZERRHIZAXIQ-UHFFFAOYSA-N

SMILES

P(OC1=CC(C(C)(C)C)=C(O)C=C1)(OC2=CC(C(C)(C)C)=C(O)C=C2)(OC3=CC(C(C)(C)C)=C(O)C=C3)=O

Canonical SMILES

O=P(OC1=CC=C(O)C(=C1)C(C)(C)C)(OC2=CC=C(O)C(=C2)C(C)(C)C)OC3=CC=C(O)C(=C3)C(C)(C)C

Other Names for this Substance

  • 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4′,4′′-phosphate
  • Hydroquinone, tert-butyl-, 4,4′,4′′-phosphate