9,12-Octadecadienoic acid (9Z,12Z)-, 2-(acetylamino)-4-(5-amino-3,4-dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-4-oxobutyl ester

CAS Registry Number®

136536-84-0

CAS Name

9,12-Octadecadienoic acid (9Z,12Z)-, 2-(acetylamino)-4-(5-amino-3,4-dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-4-oxobutyl ester

Molecular Formula

C35H52N2O6

Molecular Mass

596.80

Cite this Page

9,12-Octadecadienoic acid (9Z,12Z)-, 2-(acetylamino)-4-(5-amino-3,4-dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-4-oxobutyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=136536-84-0 (retrieved 2024-12-04) (CAS RN: 136536-84-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H52N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32(41)42-25-27(37-26(2)38)23-29(39)28-21-22-31-33(34(28)36)30(40)24-35(3,4)43-31/h9-10,12-13,21-22,27H,5-8,11,14-20,23-25,36H2,1-4H3,(H,37,38)

InChIKey

InChIKey=HSQFJUGPIMWNAS-UHFFFAOYSA-N

SMILES

NC1=C2C(=CC=C1C(CC(COC(CCCCCCCC=CCC=CCCCCC)=O)NC(C)=O)=O)OC(C)(C)CC2=O

Canonical SMILES

O=C(OCC(NC(=O)C)CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N)CCCCCCCC=CCC=CCCCCC

Other Names for this Substance

  • 9,12-Octadecadienoic acid (9Z,12Z)-, 2-(acetylamino)-4-(5-amino-3,4-dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-4-oxobutyl ester
  • 9,12-Octadecadienoic acid (Z,Z)-, 2-(acetylamino)-4-(5-amino-3,4-dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-4-oxobutyl ester

CAS INSIGHTSTM
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