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Details

Stereochemistry ACHIRAL
Molecular Formula C18H12O2
Molecular Weight 260.2867
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,9-Dihydroxybenz[a]anthracene

SMILES

OC1=CC2=C(C=C1)C=C3C(C=CC4=C3C=CC(O)=C4)=C2

InChI

InChIKey=CQTBIAMUVNXBKY-UHFFFAOYSA-N
InChI=1S/C18H12O2/c19-15-4-3-11-10-18-12(7-14(11)9-15)1-2-13-8-16(20)5-6-17(13)18/h1-10,19-20H

HIDE SMILES / InChI

Molecular Formula C18H12O2
Molecular Weight 260.2867
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 22:09:43 GMT 2025
Edited
by admin
on Mon Mar 31 22:09:43 GMT 2025
Record UNII
3LGE7EP5GD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,9-Dihydroxybenz[a]anthracene
Systematic Name English
Benz[a]anthracene-3,9-diol
Preferred Name English
Code System Code Type Description
PUBCHEM
41948
Created by admin on Mon Mar 31 22:09:43 GMT 2025 , Edited by admin on Mon Mar 31 22:09:43 GMT 2025
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EPA CompTox
DTXSID30205182
Created by admin on Mon Mar 31 22:09:43 GMT 2025 , Edited by admin on Mon Mar 31 22:09:43 GMT 2025
PRIMARY
CAS
56614-97-2
Created by admin on Mon Mar 31 22:09:43 GMT 2025 , Edited by admin on Mon Mar 31 22:09:43 GMT 2025
PRIMARY
FDA UNII
3LGE7EP5GD
Created by admin on Mon Mar 31 22:09:43 GMT 2025 , Edited by admin on Mon Mar 31 22:09:43 GMT 2025
PRIMARY