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Details

Stereochemistry RACEMIC
Molecular Formula C18H24O4
Molecular Weight 304.3808
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of 2-(4,4,7-TRIMETHYL-4,4A,5,6-TETRAHYDRO-3H-NAPHTHALEN-2-YLIDENE)-MALONIC ACID DIMETHYL ESTER

SMILES

COC(=O)C(C(=O)OC)=C1CC(C)(C)C2CCC(C)=CC2=C1

InChI

InChIKey=UXFKBPYCKDQLOB-UHFFFAOYSA-N
InChI=1S/C18H24O4/c1-11-6-7-14-12(8-11)9-13(10-18(14,2)3)15(16(19)21-4)17(20)22-5/h8-9,14H,6-7,10H2,1-5H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-(4,4,7-TRIMETHYL-4,4A,5,6-TETRAHYDRO-3H-NAPHTHALEN-2-YLIDENE)-MALONIC ACID DIMETHYL ESTER
Systematic Name English
PROPANEDIOIC ACID, (4,4A,5,6-TETRAHYDRO-4,4,7-TRIMETHYL-2(3H)-NAPHTHALENYLIDENE)-, DIMETHYL ESTER
Preferred Name English
PROPANEDIOIC ACID, 2-(4,4A,5,6-TETRAHYDRO-4,4,7-TRIMETHYL-2(3H)-NAPHTHALENYLIDENE)-, 1,3-DIMETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
VYF2AP2JA4
Created by admin on Mon Mar 31 18:11:31 GMT 2025 , Edited by admin on Mon Mar 31 18:11:31 GMT 2025
PRIMARY
CAS
126736-39-8
Created by admin on Mon Mar 31 18:11:31 GMT 2025 , Edited by admin on Mon Mar 31 18:11:31 GMT 2025
PRIMARY
PUBCHEM
70365939
Created by admin on Mon Mar 31 18:11:31 GMT 2025 , Edited by admin on Mon Mar 31 18:11:31 GMT 2025
PRIMARY
NIH
NCATS
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