Aurintricarboxylic acid

CAS Registry Number®

4431-00-9

CAS Name

Aurintricarboxylic acid

Molecular Formula

C22H14O9

Molecular Mass

422.34

Cite this Page

Aurintricarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4431-00-9 (retrieved 2024-11-22) (CAS RN: 4431-00-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    246-250 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)

InChIKey

InChIKey=GIXWDMTZECRIJT-UHFFFAOYSA-N

SMILES

C(C1=CC(C(O)=O)=C(O)C=C1)(C2=CC(C(O)=O)=C(O)C=C2)=C3C=C(C(O)=O)C(=O)C=C3

Canonical SMILES

O=C(O)C1=CC(C=CC1=O)=C(C2=CC=C(O)C(=C2)C(=O)O)C3=CC=C(O)C(=C3)C(=O)O

Other Names for this Substance

  • Benzoic acid, 3,3′-[(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis[6-hydroxy-
  • 1,4-Cyclohexadiene-1-carboxylic acid, 3-[bis(3-carboxy-4-hydroxyphenyl)methylene]-6-oxo-
  • Aurintricarboxylic acid
  • Benzoic acid, 5-[(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy-
  • 3,3′-[(3-Carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis[6-hydroxybenzoic acid]

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Deleted or Replaced CAS Registry Numbers

857155-55-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration