U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

Approval Year

Name Type Language
OCTINOXATE, (S)-
Common Name English
2-PROPENOIC ACID, 3-(4-METHOXYPHENYL)-, 2-ETHYLHEXYL ESTER, (2E)-, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11044481
Created by admin on Sat Dec 16 11:08:35 GMT 2023 , Edited by admin on Sat Dec 16 11:08:35 GMT 2023
PRIMARY
FDA UNII
X279J6U828
Created by admin on Sat Dec 16 11:08:35 GMT 2023 , Edited by admin on Sat Dec 16 11:08:35 GMT 2023
PRIMARY