CAS Registry Number: 5651-60-5

Name:

Benz[d]​indeno[1,​2-​b]​pyran-​5,​11-​dione
Benzoic acid, o-​(3-​hydroxy-​1-​oxoinden-​2-​yl)​-​, δ-​lactone (7CI); Benzoic acid, 2-​(3-​hydroxy-​1-​oxo-​1H-​inden-​2-​yl)​-​, δ-​lactone; NSC 102064 

Chemical Formula: C16H8O3
Exact Mass: 248.05
Molecular Weight: 248.23
m/z: 248.05 (100.0%), 249.05 (17.5%), 250.05 (2.0%)
Elemental Analysis: C, 77.42; H, 3.25; O, 19.34

InChI: InChI=1S/C16H8O3/c17-14-10-6-2-3-7-11(10)15-13(14)9-5-1-4-8-12(9)16(18)19-15/h1-8H
InChIKey: HVRWJPNEHHBGGY-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)OC2=O

Specification

98%

1. (1) Deliomeroglu, Murat K.; ARKIVOC (Gainesville, FL, United States) 2010, (2), P148-160 CAPLUS
2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
3. (3) Wawzonek, Stanley; Journal of Organic Chemistry 1975, V40(20), P2974-5 CAPLUS
4. (4) Morrell, Andrew; Bioorganic & Medicinal Chemistry Letters 2006, V16(7), P1846-1849 CAPLUS
5. (5) Ahn, Gang; Bioorganic & Medicinal Chemistry 2010, V18(22), P8119-8133 CAPLUS