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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, trans-

SMILES

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

InChI

InChIKey=LYSNVWBBICAAMS-YRNVUSSQSA-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

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 Sat Dec 16 16:06:28 GMT 2023
Edited
by admin
on Sat Dec 16 16:06:28 GMT 2023
Record UNII
3B5LZS9A3H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Isobutylidene phthalide, trans-
Systematic Name English
(3E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone
Systematic Name English
trans-3-Isobutylidene phthalide
Systematic Name English
1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3E)-
Systematic Name English
(E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone
Systematic Name English
3-(2-Methylpropylidene)-1(3H)-isobenzofuranone, (E)-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
259-944-9
Created by admin on Sat Dec 16 16:06:28 GMT 2023 , Edited by admin on Sat Dec 16 16:06:28 GMT 2023
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FDA UNII
3B5LZS9A3H
Created by admin on Sat Dec 16 16:06:28 GMT 2023 , Edited by admin on Sat Dec 16 16:06:28 GMT 2023
PRIMARY
CAS
56014-69-8
Created by admin on Sat Dec 16 16:06:28 GMT 2023 , Edited by admin on Sat Dec 16 16:06:28 GMT 2023
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PUBCHEM
6436620
Created by admin on Sat Dec 16 16:06:28 GMT 2023 , Edited by admin on Sat Dec 16 16:06:28 GMT 2023
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EPA CompTox
DTXSID10886190
Created by admin on Sat Dec 16 16:06:28 GMT 2023 , Edited by admin on Sat Dec 16 16:06:28 GMT 2023
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