1,3-Benzenediol, 1,1′,1′′-phosphate

CAS Registry Number®

94135-13-4

CAS Name

1,3-Benzenediol, 1,1′,1′′-phosphate

Molecular Formula

C18H15O7P

Molecular Mass

374.28

Cite this Page

1,3-Benzenediol, 1,1′,1′′-phosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94135-13-4 (retrieved 2024-11-22) (CAS RN: 94135-13-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H15O7P/c19-13-4-1-7-16(10-13)23-26(22,24-17-8-2-5-14(20)11-17)25-18-9-3-6-15(21)12-18/h1-12,19-21H

InChIKey

InChIKey=GGYSSENSJNGXLU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=P(OC=1C=CC=C(O)C1)(OC=2C=CC=C(O)C2)OC=3C=CC=C(O)C3

Other Names for this Substance

  • 1,3-Benzenediol, 1,1′,1′′-phosphate
  • 1,3-Benzenediol, phosphate (3:1)

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