6,9,12-Octadecatrienoic acid, 2-oxo-2H-1-benzopyran-7-yl ester, (Z,Z,Z)-
CAS Registry Number®
161180-12-7
CAS Name
6,9,12-Octadecatrienoic acid, 2-oxo-2H-1-benzopyran-7-yl ester, (Z,Z,Z)-Molecular Formula
C27H34O4Molecular Mass
422.56Cite this Page
6,9,12-Octadecatrienoic acid, 2-oxo-2H-1-benzopyran-7-yl ester, (Z,Z,Z)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=161180-12-7 (retrieved ) (CAS RN: 161180-12-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(28)30-24-20-18-23-19-21-27(29)31-25(23)22-24/h6-7,9-10,12-13,18-22H,2-5,8,11,14-17H2,1H3/b7-6-,10-9-,13-12-
InChIKey
InChIKey=LPIXSKJJCANUQD-QNEBEIHSSA-N
SMILES
O(C(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)C=1C=C2C(=CC1)C=CC(=O)O2
Canonical SMILES
O=C1OC=2C=C(OC(=O)CCCCC=CCC=CCC=CCCCCC)C=CC2C=C1
Other Names for this Substance
- 6,9,12-Octadecatrienoic acid, 2-oxo-2H-1-benzopyran-7-yl ester, (Z,Z,Z)-