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

C27H34O4

Molecular Mass

422.56

Cite 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 2024-10-05) (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)-

CAS INSIGHTSTM
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