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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H26O3
Molecular Weight 290.3972
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of OCTINOXATE, (S)-

SMILES

CCCC[C@H](CC)COC(=O)\C=C\C1=CC=C(OC)C=C1

InChI

InChIKey=YBGZDTIWKVFICR-VOMSXAGXSA-N
InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H26O3
Molecular Weight 290.3972
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:39:35 GMT 2025
Edited
by admin
on Mon Mar 31 23:39:35 GMT 2025
Record UNII
X279J6U828
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PROPENOIC ACID, 3-(4-METHOXYPHENYL)-, 2-ETHYLHEXYL ESTER, (2E)-, (S)-
Preferred Name English
OCTINOXATE, (S)-
Common Name English
Code System Code Type Description
PUBCHEM
11044481
Created by admin on Mon Mar 31 23:39:35 GMT 2025 , Edited by admin on Mon Mar 31 23:39:35 GMT 2025
PRIMARY
FDA UNII
X279J6U828
Created by admin on Mon Mar 31 23:39:35 GMT 2025 , Edited by admin on Mon Mar 31 23:39:35 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER