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Details

Stereochemistry RACEMIC
Molecular Formula C14H10O5
Molecular Weight 258.2262
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of PATULIN BENZOATE

SMILES

O=C(OC1OCC=C2OC(=O)C=C12)C3=CC=CC=C3

InChI

InChIKey=DLKPQGRNFKDPBS-UHFFFAOYSA-N
InChI=1S/C14H10O5/c15-12-8-10-11(18-12)6-7-17-14(10)19-13(16)9-4-2-1-3-5-9/h1-6,8,14H,7H2

HIDE SMILES / InChI

Molecular Formula C14H10O5
Molecular Weight 258.2262
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:44:50 GMT 2023
Edited
by admin
on Sat Dec 16 11:44:50 GMT 2023
Record UNII
98IMY9L31H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PATULIN BENZOATE
Common Name English
4H-FURO(3,2-C)PYRAN-2(6H)-ONE, 4-(BENZOYLOXY)-
Systematic Name English
Code System Code Type Description
FDA UNII
98IMY9L31H
Created by admin on Sat Dec 16 11:44:50 GMT 2023 , Edited by admin on Sat Dec 16 11:44:50 GMT 2023
PRIMARY
CAS
74848-55-8
Created by admin on Sat Dec 16 11:44:50 GMT 2023 , Edited by admin on Sat Dec 16 11:44:50 GMT 2023
PRIMARY
PUBCHEM
137552089
Created by admin on Sat Dec 16 11:44:50 GMT 2023 , Edited by admin on Sat Dec 16 11:44:50 GMT 2023
PRIMARY