1,5-Cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyethenyl)oxy]-4-hydroxy-, barium salt (1:1), (3R-trans)-

CAS Registry Number®

55508-12-8
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CAS Name

1,5-Cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyethenyl)oxy]-4-hydroxy-, barium salt (1:1), (3R-trans)-

Molecular Formula

C10H10O6.Ba

Cite this Page

1,5-Cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyethenyl)oxy]-4-hydroxy-, barium salt (1:1), (3R-trans)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=55508-12-8 (retrieved 2024-04-19) (CAS RN: 55508-12-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H10O6.Ba/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11;/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15);/t7-,8-;/m1./s1

InChIKey

InChIKey=SJUFJTZXQMYXSV-SCLLHFNJSA-N

SMILES

O(C(C(O)=O)=C)[C@@H]1C=C(C(O)=O)C=C[C@H]1O.[Ba]

Canonical SMILES

[Ba].O=C(O)C(OC1C=C(C=CC1O)C(=O)O)=C

Other Names for this Substance

  • 1,5-Cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyethenyl)oxy]-4-hydroxy-, barium salt (1:1), (3R-trans)-
  • Barium chorismate

Deleted or Replaced CAS Registry Numbers

820988-81-6, 875536-97-3

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