CAS Registry Number: 199679-36-2

Name:

2-​Propenoic acid, 3-​(2,​3-​dihydro-​1H-​inden-​5-​yl)​-​, (2E)​-
2-​Propenoic acid, 3-​(2,​3-​dihydro-​1H-​inden-​5-​yl)​-​, (E)​- 

Chemical Formula: C12H12O2
Exact Mass: 188.08
Molecular Weight: 188.22
m/z: 188.08 (100.0%), 189.09 (13.2%), 190.09 (1.2%)

InChI: InChI=1S/C32H46NO3/c1-3-4-5-6-7-9-12-25-15-17-26(18-16-25)23-33(2)28-19-20-29(33)22-30(21-28)36-32(35)31(24-34)27-13-10-8-11-14-27/h8,10-11,13-18,28-31,34H,3-7,9,12,19-24H2,1-2H3/q+1
InChIKey: FKEVMGTZODGSRX-UHFFFAOYSA-N
Canonical SMILES : CCCCCCCCC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)C

Specification

98%

PCT Int. Appl. (2012), WO 2012075115 A1 20120607.                                 

PCT Int. Appl. (2012), WO 2012061698 A2 20120510.