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.CaCite 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 ) (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)
