U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H14
Molecular Weight 254.3252
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4'-ACE-1,2-BENZANTHRACENE

SMILES

C1CC2=C3C1=CC4=CC5=CC=CC=C5C=C4C3=CC=C2

InChI

InChIKey=PMNATJJZOUNELG-UHFFFAOYSA-N
InChI=1S/C20H14/c1-2-5-15-12-19-17(10-14(15)4-1)11-16-9-8-13-6-3-7-18(19)20(13)16/h1-7,10-12H,8-9H2

HIDE SMILES / InChI

Molecular Formula C20H14
Molecular Weight 254.3252
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 19:56:36 GMT 2025
Edited
by admin
on Mon Mar 31 19:56:36 GMT 2025
Record UNII
DEW3G130KU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3:4-DIMETHYLENE-1:2-BENZANTHRACENE
Preferred Name English
3,4'-ACE-1,2-BENZANTHRACENE
Common Name English
ACENAPHTHANTHRACENE
Systematic Name English
CYCLOPENTA(DE)BENZ(A)ANTHRACENE, 4,5-DIHYDRO-
Common Name English
3,4-DIMETHYLENE-1,2-BENZANTHRACENE
Common Name English
BENZ(K)ACEPHENANTHRYLENE, 4,5-DIHYDRO-
Systematic Name English
BENZ(K)ACEPHENANTHRENE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40206483
Created by admin on Mon Mar 31 19:56:36 GMT 2025 , Edited by admin on Mon Mar 31 19:56:36 GMT 2025
PRIMARY
PUBCHEM
22014
Created by admin on Mon Mar 31 19:56:36 GMT 2025 , Edited by admin on Mon Mar 31 19:56:36 GMT 2025
PRIMARY
FDA UNII
DEW3G130KU
Created by admin on Mon Mar 31 19:56:36 GMT 2025 , Edited by admin on Mon Mar 31 19:56:36 GMT 2025
PRIMARY
CAS
5779-79-3
Created by admin on Mon Mar 31 19:56:36 GMT 2025 , Edited by admin on Mon Mar 31 19:56:36 GMT 2025
PRIMARY