9H-Xanthene-2-acetic acid, α-methyl-9-oxo-, compd. with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1)
CAS Registry Number®
1346753-05-6
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CAS Name
9H-Xanthene-2-acetic acid, α-methyl-9-oxo-, compd. with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1)Molecular Formula
C16H12O4.C9H16N2Cite this Page
9H-Xanthene-2-acetic acid, α-methyl-9-oxo-, compd. with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1346753-05-6 (retrieved ) (CAS RN: 1346753-05-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C16H12O4.C9H16N2/c1-9(16(18)19)10-6-7-14-12(8-10)15(17)11-4-2-3-5-13(11)20-14;1-2-5-9-10-6-4-8-11(9)7-3-1/h2-9H,1H3,(H,18,19);1-8H2
InChIKey
InChIKey=ZLFMLTKPDRGWFB-UHFFFAOYSA-N
SMILES
O=C1C=2C(OC=3C1=CC=CC3)=CC=C(C(C(O)=O)C)C2.C=12N(CCCN1)CCCCC2
Canonical SMILES
O=C(O)C(C1=CC=C2OC=3C=CC=CC3C(=O)C2=C1)C.N1=C2N(CCC1)CCCCC2
Other Names for this Substance
- 9H-Xanthene-2-acetic acid, α-methyl-9-oxo-, compd. with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1)
- α-Methylxanthoneacetic acid 1,8-diazabicyclo[5.4.0]undec-7-ene salt
- 2-(9-Oxoxanthen-2-yl)propionic acid 1,8-diazabicyclo[5.4.0]undec-7-ene salt