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Details

Stereochemistry ACHIRAL
Molecular Formula C16H18O4
Molecular Weight 274.3117
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALKANNAN

SMILES

CC(C)CCCC1=CC(=O)C2=C(O)C=CC(O)=C2C1=O

InChI

InChIKey=CZCUIGLMMGPMLC-UHFFFAOYSA-N
InChI=1S/C16H18O4/c1-9(2)4-3-5-10-8-13(19)14-11(17)6-7-12(18)15(14)16(10)20/h6-9,17-18H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C16H18O4
Molecular Weight 274.3117
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 Mon Mar 31 20:24:04 GMT 2025
Edited
by admin
on Mon Mar 31 20:24:04 GMT 2025
Record UNII
FZS19WML2L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALKANNAN
Common Name English
ALKANNANE
Preferred Name English
1,4-NAPHTHALENEDIONE, 5,8-DIHYDROXY-2-(4-METHYLPENTYL)-
Systematic Name English
1,4-NAPHTHOQUINONE, 5,8-DIHYDROXY-2-ISOHEXYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
5317321
Created by admin on Mon Mar 31 20:24:04 GMT 2025 , Edited by admin on Mon Mar 31 20:24:04 GMT 2025
PRIMARY
EPA CompTox
DTXSID90199654
Created by admin on Mon Mar 31 20:24:04 GMT 2025 , Edited by admin on Mon Mar 31 20:24:04 GMT 2025
PRIMARY
CAS
517-90-8
Created by admin on Mon Mar 31 20:24:04 GMT 2025 , Edited by admin on Mon Mar 31 20:24:04 GMT 2025
PRIMARY
FDA UNII
FZS19WML2L
Created by admin on Mon Mar 31 20:24:04 GMT 2025 , Edited by admin on Mon Mar 31 20:24:04 GMT 2025
PRIMARY