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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-Isobutylidene phthalide, cis-

SMILES

CC(C)\C=C1/OC(=O)C2=C1C=CC=C2

InChI

InChIKey=LYSNVWBBICAAMS-XFFZJAGNSA-N
InChI=1S/C12H12O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h3-8H,1-2H3/b11-7-

HIDE SMILES / InChI

Approval Year

Name Type Language
Phthalide, 3-isobutylidene-
Preferred Name English
3-Isobutylidene phthalide, cis-
Systematic Name English
(3Z)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone
Systematic Name English
cis-3-Isobutylidene phthalide
Systematic Name English
3-(2-Methylpropylidene)-1(3H)-isobenzofuranone
Systematic Name English
1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-
Systematic Name English
3-Isobutylidene-3H-isobenzofuran-1-one
Systematic Name English
1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3Z)-
Systematic Name English
Code System Code Type Description
CAS
88542-70-5
Created by admin on Wed Apr 02 18:46:13 GMT 2025 , Edited by admin on Wed Apr 02 18:46:13 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID70886191
Created by admin on Wed Apr 02 18:46:13 GMT 2025 , Edited by admin on Wed Apr 02 18:46:13 GMT 2025
PRIMARY
CAS
56014-87-0
Created by admin on Wed Apr 02 18:46:13 GMT 2025 , Edited by admin on Wed Apr 02 18:46:13 GMT 2025
PRIMARY
PUBCHEM
6436619
Created by admin on Wed Apr 02 18:46:13 GMT 2025 , Edited by admin on Wed Apr 02 18:46:13 GMT 2025
PRIMARY
FDA UNII
V2GN2KW65T
Created by admin on Wed Apr 02 18:46:13 GMT 2025 , Edited by admin on Wed Apr 02 18:46:13 GMT 2025
PRIMARY