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Details

Stereochemistry ACHIRAL
Molecular Formula C17H16O5
Molecular Weight 300.3059
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIETHYL 7-OXO-7H-BENZO(A)CYCLOHEPTENE-6,8-DICARBOXYLATE

SMILES

CCOC(=O)C1=CC2=C(C=CC=C2)C=C(C(=O)OCC)C1=O

InChI

InChIKey=CEFVWDWRRPNWLO-UHFFFAOYSA-N
InChI=1S/C17H16O5/c1-3-21-16(19)13-9-11-7-5-6-8-12(11)10-14(15(13)18)17(20)22-4-2/h5-10H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H16O5
Molecular Weight 300.3059
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:49:05 GMT 2025
Edited
by admin
on Tue Apr 01 19:49:05 GMT 2025
Record UNII
9H3H63Y6TG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-101028
Preferred Name English
DIETHYL 7-OXO-7H-BENZO(A)CYCLOHEPTENE-6,8-DICARBOXYLATE
Systematic Name English
7H-BENZOCYCLOHEPTENE-6,8-DICARBOXYLIC ACID, 7-OXO-, 6,8-DIETHYL ESTER
Systematic Name English
7H-BENZOCYCLOHEPTENE-6,8-DICARBOXYLIC ACID, 7-OXO-, DIETHYL ESTER
Systematic Name English
DIETHYL 7-OXO-7H-BENZOCYCLOHEPTENE-6,8-DICARBOXYLATE
Systematic Name English
Code System Code Type Description
FDA UNII
9H3H63Y6TG
Created by admin on Tue Apr 01 19:49:05 GMT 2025 , Edited by admin on Tue Apr 01 19:49:05 GMT 2025
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EPA CompTox
DTXSID00197626
Created by admin on Tue Apr 01 19:49:05 GMT 2025 , Edited by admin on Tue Apr 01 19:49:05 GMT 2025
PRIMARY
CAS
4889-50-3
Created by admin on Tue Apr 01 19:49:05 GMT 2025 , Edited by admin on Tue Apr 01 19:49:05 GMT 2025
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PUBCHEM
236996
Created by admin on Tue Apr 01 19:49:05 GMT 2025 , Edited by admin on Tue Apr 01 19:49:05 GMT 2025
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NSC
101028
Created by admin on Tue Apr 01 19:49:05 GMT 2025 , Edited by admin on Tue Apr 01 19:49:05 GMT 2025
PRIMARY