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Details

Stereochemistry ACHIRAL
Molecular Formula C21H18
Molecular Weight 270.3676
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,7,12-Trimethylbenz[a]anthracene

SMILES

CC1=CC=CC2=C1C3=C(C)C4=C(C=CC=C4)C(C)=C3C=C2

InChI

InChIKey=JBEPSPRTDUVLGZ-UHFFFAOYSA-N
InChI=1S/C21H18/c1-13-7-6-8-16-11-12-19-14(2)17-9-4-5-10-18(17)15(3)21(19)20(13)16/h4-12H,1-3H3

HIDE SMILES / InChI

Molecular Formula C21H18
Molecular Weight 270.3676
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 Fri Dec 15 18:01:29 GMT 2023
Edited
by admin
on Fri Dec 15 18:01:29 GMT 2023
Record UNII
D94W9SX46U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,7,12-Trimethylbenz[a]anthracene
Systematic Name English
Benz[a]anthracene, 1,7,12-trimethyl-
Systematic Name English
Trimethylbenz[a]anthracene, 1,7,12-
Systematic Name English
Code System Code Type Description
CAS
60786-51-8
Created by admin on Fri Dec 15 18:01:29 GMT 2023 , Edited by admin on Fri Dec 15 18:01:29 GMT 2023
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PUBCHEM
43474
Created by admin on Fri Dec 15 18:01:29 GMT 2023 , Edited by admin on Fri Dec 15 18:01:29 GMT 2023
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FDA UNII
D94W9SX46U
Created by admin on Fri Dec 15 18:01:29 GMT 2023 , Edited by admin on Fri Dec 15 18:01:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID00209617
Created by admin on Fri Dec 15 18:01:29 GMT 2023 , Edited by admin on Fri Dec 15 18:01:29 GMT 2023
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