CAS Registry Number: 122-25-8

Name:

Benzoic acid, 3,​3'-​methylenebis[6-​hydroxy-
Salicylic acid, 5,​5'-​methylenedi- (6CI,​7CI,​8CI); 2,​2'-​Dihydroxy-​5,​5'-​methylenedibenzoic acid; 3,​3'-​Dicarboxy-​4,​4'-​dihydroxydiphenylmet​hane; 3,​3'-​Methylenebis[6-​hydroxybenzoic acid]; 4,​4'-​Dihydroxy-​3,​3'-​dicarboxydiphenylmet​hane; 4,​4'-​Dihydroxydiphenylmet​hane-​3,​3'-​dicarboxylic acid; 5,​5'-​Methylenebis(salicyl​ic acid); 5,​5'-​Methylenedisalicylic acid; 5-​(3-​Carboxy-​4-​hydroxybenzyl)​salicylic acid; Methylenebis(salicyl​ic acid); NSC 14778; NSC 622445 

Deleted CAS Registry Numbers: 198640-​77-​6

Chemical Formula: C15H12O6
Exact Mass: 288.06
Molecular Weight: 288.25
m/z: 288.06 (100.0%), 289.07 (16.6%), 290.07 (2.5%)
Elemental Analysis: C, 62.50; H, 4.20; O, 33.30

InChI: InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)
InChIKey: JWQFKVGACKJIAV-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O

Specification

98%

1. (1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
2. (2) Wang, Pinglang; Journal of Organic Chemistry 1992, V57(14), P3861-6 CAPLUS
3. (3) Reddy, Cherkupally Sanjeeva; Chemical & Pharmaceutical Bulletin 2008, V56(12), P1732-1734 CAPLUS
4. (4) Cui, Guo-Jing; Industrial & Engineering Chemistry Research 2010, V49(2), P448-453 CAPLUS
5. (5) Kuck, Dirk; Bioorganic & Medicinal Chemistry 2010, V18(2), P822-829 CAPLUS
6. (6) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
7. (7) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
8. (8) Magidson, O. Yu.; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation) 1936, V9, P304-20(in English 321) CAPLUS