Benzoic acid, 2-hydroxy-, calcium salt, compd. with 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione (1:1:1)

CAS Registry Number®

94135-53-2

CAS Name

Benzoic acid, 2-hydroxy-, calcium salt, compd. with 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione (1:1:1)

Molecular Formula

C7H8N4O2.C7H6O3.Ca

Cite this Page

Benzoic acid, 2-hydroxy-, calcium salt, compd. with 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione (1:1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94135-53-2 (retrieved 2024-12-29) (CAS RN: 94135-53-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C7H8N4O2.C7H6O3.Ca/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;8-6-4-2-1-3-5(6)7(9)10;/h3H,1-2H3,(H,9,12,13);1-4,8H,(H,9,10);

InChIKey

InChIKey=ZAUCFDDSPVNBJQ-UHFFFAOYSA-N

SMILES

CN1C2=C(C(=O)NC1=O)N(C)C=N2.C(O)(=O)C1=C(O)C=CC=C1.[Ca]

Canonical SMILES

[Ca].O=C(O)C=1C=CC=CC1O.O=C1NC(=O)N(C=2N=CN(C12)C)C

Other Names for this Substance

  • Benzoic acid, 2-hydroxy-, calcium salt, compd. with 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione (1:1:1)
  • 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-, compd. with 2-hydroxybenzoic acid calcium salt (1:1:1)

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