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Details

Stereochemistry ACHIRAL
Molecular Formula C20H17ClO3
Molecular Weight 340.8
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-(p-Chlorobenzylidene)-2-methyl-5-methoxyindenylacetic acid, (E)-

SMILES

COC1=CC2=C(C=C1)\C(=C\C3=CC=C(Cl)C=C3)C(C)=C2CC(O)=O

InChI

InChIKey=CODOVFSHVROMLQ-RQZCQDPDSA-N
InChI=1S/C20H17ClO3/c1-12-17(9-13-3-5-14(21)6-4-13)16-8-7-15(24-2)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+

HIDE SMILES / InChI

Molecular Formula C20H17ClO3
Molecular Weight 340.8
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:07:28 GMT 2025
Edited
by admin
on Tue Apr 01 20:07:28 GMT 2025
Record UNII
YHT97Z7453
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-593120
Preferred Name English
1-(p-Chlorobenzylidene)-2-methyl-5-methoxyindenylacetic acid, (E)-
Systematic Name English
1H-Indene-3-acetic acid, 1-[(4-chlorophenyl)methylene]-5-methoxy-2-methyl-
Systematic Name English
1-[(4-Chlorophenyl)methylene]-5-methoxy-2-methyl-1H-indene-3-acetic acid
Systematic Name English
1-p-Chlorobenzylidene-2-methyl-5-methoxy-3-indeneacetic acid
Systematic Name English
Indene-3-acetic acid, 1-(p-chlorobenzylidene)-5-methoxy-2-methyl-, (E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6509843
Created by admin on Tue Apr 01 20:07:28 GMT 2025 , Edited by admin on Tue Apr 01 20:07:28 GMT 2025
PRIMARY
CAS
22287-03-2
Created by admin on Tue Apr 01 20:07:28 GMT 2025 , Edited by admin on Tue Apr 01 20:07:28 GMT 2025
PRIMARY
FDA UNII
YHT97Z7453
Created by admin on Tue Apr 01 20:07:28 GMT 2025 , Edited by admin on Tue Apr 01 20:07:28 GMT 2025
PRIMARY
CAS
16203-90-0
Created by admin on Tue Apr 01 20:07:28 GMT 2025 , Edited by admin on Tue Apr 01 20:07:28 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY