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Details

Stereochemistry ACHIRAL
Molecular Formula C15H18O3
Molecular Weight 246.3016
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one

SMILES

CCCCC1=C(C)C2=CC=C(O)C(C)=C2OC1=O

InChI

InChIKey=WBSHKNWGTNMYAF-UHFFFAOYSA-N
InChI=1S/C15H18O3/c1-4-5-6-12-9(2)11-7-8-13(16)10(3)14(11)18-15(12)17/h7-8,16H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C15H18O3
Molecular Weight 246.3016
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:37:16 GMT 2023
Edited
by admin
on Sat Dec 16 10:37:16 GMT 2023
Record UNII
NJM3DW5CL6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Butyl-4,8-dimethyl-7-hydroxy-2H-1-benzopyran-2-one
Systematic Name English
3-Butyl-7-hydroxy-4,8-dimethyl-2H-1-benzopyran-2-one
Systematic Name English
2H-1-Benzopyran-2-one, 3-butyl-7-hydroxy-4,8-dimethyl-
Systematic Name English
2H-Benzopyran-2-one, 3-butyl-4,8-dimethyl-7-hydroxy-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30919090
Created by admin on Sat Dec 16 10:37:16 GMT 2023 , Edited by admin on Sat Dec 16 10:37:16 GMT 2023
PRIMARY
CAS
92581-70-9
Created by admin on Sat Dec 16 10:37:16 GMT 2023 , Edited by admin on Sat Dec 16 10:37:16 GMT 2023
PRIMARY
FDA UNII
NJM3DW5CL6
Created by admin on Sat Dec 16 10:37:16 GMT 2023 , Edited by admin on Sat Dec 16 10:37:16 GMT 2023
PRIMARY
PUBCHEM
5584010
Created by admin on Sat Dec 16 10:37:16 GMT 2023 , Edited by admin on Sat Dec 16 10:37:16 GMT 2023
PRIMARY