Benzoic acid, 2-hydroxy-, compd. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (1:1)
CAS Registry Number®
5743-22-6
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CAS Name
Benzoic acid, 2-hydroxy-, compd. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (1:1)Molecular Formula
C8H10N4O2.C7H6O3Cite this Page
Benzoic acid, 2-hydroxy-, compd. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=5743-22-6 (retrieved ) (CAS RN: 5743-22-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C8H10N4O2.C7H6O3/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-6-4-2-1-3-5(6)7(9)10/h4H,1-3H3;1-4,8H,(H,9,10)
InChIKey
InChIKey=SVXXBCDDJXZXOZ-UHFFFAOYSA-N
SMILES
C(O)(=O)C1=C(O)C=CC=C1.O=C1C2=C(N(C)C(=O)N1C)N=CN2C
Canonical SMILES
O=C(O)C=1C=CC=CC1O.O=C1C2=C(N=CN2C)N(C(=O)N1C)C
Other Names for this Substance
- Benzoic acid, 2-hydroxy-, compd. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (1:1)
- Salicylic acid, compd. with caffeine (1:1)
- Caffeine, compd. with salicylic acid
- Caffeine, monosalicylate
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, mono(2-hydroxybenzoate)
