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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12O2
Molecular Weight 188.2225
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-BUTYLIDENEPHTHALIDE, (Z)-

SMILES

CCC\C=C1/OC(=O)C2=CC=CC=C12

InChI

InChIKey=WMBOCUXXNSOQHM-FLIBITNWSA-N
InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-

HIDE SMILES / InChI

Molecular Formula C12H12O2
Molecular Weight 188.2225
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 Mon Mar 31 23:41:14 GMT 2025
Edited
by admin
on Mon Mar 31 23:41:14 GMT 2025
Record UNII
6GM611H175
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3Z)-3-BUTYLIDENE-1(3H)-ISOBENZOFURANONE
Preferred Name English
3-BUTYLIDENEPHTHALIDE, (Z)-
Systematic Name English
(Z)-3-BUTYLIDENEPHTHALIDE
Systematic Name English
1(3H)-ISOBENZOFURANONE, 3-BUTYLIDENE-, (Z)-
Systematic Name English
(Z)-BUTYLIDENEPHTHALIDE
Systematic Name English
BUTYLIDENEPHTHALIDE, (Z)-
Systematic Name English
Code System Code Type Description
FDA UNII
6GM611H175
Created by admin on Mon Mar 31 23:41:14 GMT 2025 , Edited by admin on Mon Mar 31 23:41:14 GMT 2025
PRIMARY
CAS
72917-31-8
Created by admin on Mon Mar 31 23:41:14 GMT 2025 , Edited by admin on Mon Mar 31 23:41:14 GMT 2025
PRIMARY
CAS
551-08-6
Created by admin on Mon Mar 31 23:41:14 GMT 2025 , Edited by admin on Mon Mar 31 23:41:14 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
642376
Created by admin on Mon Mar 31 23:41:14 GMT 2025 , Edited by admin on Mon Mar 31 23:41:14 GMT 2025
PRIMARY
EPA CompTox
DTXSID30993698
Created by admin on Mon Mar 31 23:41:14 GMT 2025 , Edited by admin on Mon Mar 31 23:41:14 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY