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Details

Stereochemistry ACHIRAL
Molecular Formula C17H14O4
Molecular Weight 282.2907
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-Hydroxy-3-[(2E)-3-(2-methoxyphenyl)-1-oxo-2-propen-1-yl]-2,4,6-cycloheptatrien-1-one

SMILES

COC1=CC=CC=C1\C=C\C(=O)C2=C(O)C(=O)C=CC=C2

InChI

InChIKey=KDSKWCHQBAORCF-ZHACJKMWSA-N
InChI=1S/C17H14O4/c1-21-16-9-5-2-6-12(16)10-11-14(18)13-7-3-4-8-15(19)17(13)20/h2-11H,1H3,(H,19,20)/b11-10+

HIDE SMILES / InChI

Molecular Formula C17H14O4
Molecular Weight 282.2907
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 20:02:37 GMT 2025
Edited
by admin
on Tue Apr 01 20:02:37 GMT 2025
Record UNII
CZ5BJ3L5EH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Hydroxy-3-[(2E)-3-(2-methoxyphenyl)-1-oxo-2-propen-1-yl]-2,4,6-cycloheptatrien-1-one
Systematic Name English
NSC-356771
Preferred Name English
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-3-[3-(2-methoxyphenyl)-1-oxo-2-propenyl]-
Systematic Name English
2-Hydroxy-3-[3-(2-methoxyphenyl)-1-oxo-2-propen-1-yl]-2,4,6-cycloheptatrien-1-one
Systematic Name English
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-3-[(2E)-3-(2-methoxyphenyl)-1-oxo-2-propen-1-yl]-
Systematic Name English
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-3-[3-(2-methoxyphenyl)-1-oxo-2-propen-1-yl]-
Systematic Name English
Code System Code Type Description
FDA UNII
CZ5BJ3L5EH
Created by admin on Tue Apr 01 20:02:37 GMT 2025 , Edited by admin on Tue Apr 01 20:02:37 GMT 2025
PRIMARY
PUBCHEM
6080924
Created by admin on Tue Apr 01 20:02:37 GMT 2025 , Edited by admin on Tue Apr 01 20:02:37 GMT 2025
PRIMARY
NSC
356771
Created by admin on Tue Apr 01 20:02:37 GMT 2025 , Edited by admin on Tue Apr 01 20:02:37 GMT 2025
PRIMARY
CAS
77632-98-5
Created by admin on Tue Apr 01 20:02:37 GMT 2025 , Edited by admin on Tue Apr 01 20:02:37 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
CAS
1400475-07-1
Created by admin on Tue Apr 01 20:02:37 GMT 2025 , Edited by admin on Tue Apr 01 20:02:37 GMT 2025
PRIMARY