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Details

Stereochemistry MIXED
Molecular Formula C13H12O6
Molecular Weight 264.2308
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(2,5-DIOXOTETRAHYDROFURYL)-3-METHYL-3-CYCLOHEXENE-1,2-DICARBOXYLIC ANHYDRIDE

SMILES

CC1=CC(CC2C1C(=O)OC2=O)C3CC(=O)OC3=O

InChI

InChIKey=DGQOZCNCJKEVOA-UHFFFAOYSA-N
InChI=1S/C13H12O6/c1-5-2-6(7-4-9(14)18-11(7)15)3-8-10(5)13(17)19-12(8)16/h2,6-8,10H,3-4H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H12O6
Molecular Weight 264.2308
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:33:46 GMT 2025
Edited
by admin
on Tue Apr 01 16:33:46 GMT 2025
Record UNII
281D83AH5V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(2,5-DIOXOTETRAHYDROFURYL)-3-METHYL-3-CYCLOHEXENE-1,2-DICARBOXYLIC ANHYDRIDE
Systematic Name English
B-4400
Preferred Name English
1,3-ISOBENZOFURANDIONE, 3A,4,5,7A-TETRAHYDRO-7-METHYL-5-(TETRAHYDRO-2,5-DIOXO-3-FURANYL)-
Systematic Name English
3A,4,5,7A-TETRAHYDRO-7-METHYL-5-(TETRAHYDRO-2,5-DIOXO-3-FURANYL)-1,3-ISOBENZOFURANDIONE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
277-212-7
Created by admin on Tue Apr 01 16:33:46 GMT 2025 , Edited by admin on Tue Apr 01 16:33:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID50888355
Created by admin on Tue Apr 01 16:33:46 GMT 2025 , Edited by admin on Tue Apr 01 16:33:46 GMT 2025
PRIMARY
FDA UNII
281D83AH5V
Created by admin on Tue Apr 01 16:33:46 GMT 2025 , Edited by admin on Tue Apr 01 16:33:46 GMT 2025
PRIMARY
PUBCHEM
175380
Created by admin on Tue Apr 01 16:33:46 GMT 2025 , Edited by admin on Tue Apr 01 16:33:46 GMT 2025
PRIMARY
CAS
73003-90-4
Created by admin on Tue Apr 01 16:33:46 GMT 2025 , Edited by admin on Tue Apr 01 16:33:46 GMT 2025
PRIMARY