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Details

Stereochemistry RACEMIC
Molecular Formula C11H10O3
Molecular Weight 190.1953
Optical Activity ( + / - )
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of rel-(3aR,4S,4aS,5aR,6R,6aS)-4,4a,5,5a,6,6a-Hexahydro-4,6-etheno-1H-cycloprop[f]isobenzofuran-1,3(3aH)-dione

SMILES

O=C1OC(=O)[C@@H]2[C@H]1[C@H]3C=C[C@@H]2[C@@H]4C[C@H]34

InChI

InChIKey=QMLYJZNAGFCCGP-BKFDZPLGSA-N
InChI=1S/C11H10O3/c12-10-8-4-1-2-5(7-3-6(4)7)9(8)11(13)14-10/h1-2,4-9H,3H2/t4-,5+,6+,7-,8+,9-

HIDE SMILES / InChI

Approval Year

Name Type Language
rel-(3aR,4S,4aS,5aR,6R,6aS)-4,4a,5,5a,6,6a-Hexahydro-4,6-etheno-1H-cycloprop[f]isobenzofuran-1,3(3aH)-dione
Systematic Name English
4,6-Etheno-1H-cycloprop[f]isobenzofuran-1,3(3aH)-dione, 4,4a,5,5a,6,6a-hexahydro-, (3aR,4S,4aS,5aR,6R,6aS)-rel-
Preferred Name English
Code System Code Type Description
FDA UNII
F5HK343USH
Created by admin on Wed Apr 02 19:24:16 GMT 2025 , Edited by admin on Wed Apr 02 19:24:16 GMT 2025
PRIMARY
PUBCHEM
118976165
Created by admin on Wed Apr 02 19:24:16 GMT 2025 , Edited by admin on Wed Apr 02 19:24:16 GMT 2025
PRIMARY
CAS
1071522-16-1
Created by admin on Wed Apr 02 19:24:16 GMT 2025 , Edited by admin on Wed Apr 02 19:24:16 GMT 2025
PRIMARY