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Details

Stereochemistry RACEMIC
Molecular Formula C20H16O
Molecular Weight 272.3404
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-Ethylbenz[a]anthracene 5,6-oxide

SMILES

[H][C@]12O[C@@]1([H])C3=C(CC)C4=CC=CC=C4C=C3C5=CC=CC=C25

InChI

InChIKey=YTAFSLWPIWFEGM-UXHICEINSA-N
InChI=1S/C20H16O/c1-2-13-14-8-4-3-7-12(14)11-17-15-9-5-6-10-16(15)19-20(21-19)18(13)17/h3-11,19-20H,2H2,1H3/t19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H16O
Molecular Weight 272.3404
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:54:05 GMT 2023
Edited
by admin
on Sat Dec 16 07:54:05 GMT 2023
Record UNII
8NWS5473AC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-Ethylbenz[a]anthracene 5,6-oxide
Systematic Name English
11-Ethyl-1a,11b-dihydrobenz[a]anthra[5,6-b]oxirene
Systematic Name English
Benz[a]anthra[5,6-b]oxirene, 11-ethyl-1a,11b-dihydro-
Systematic Name English
Code System Code Type Description
PUBCHEM
166451385
Created by admin on Sat Dec 16 07:54:05 GMT 2023 , Edited by admin on Sat Dec 16 07:54:05 GMT 2023
PRIMARY
FDA UNII
8NWS5473AC
Created by admin on Sat Dec 16 07:54:05 GMT 2023 , Edited by admin on Sat Dec 16 07:54:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID80166719
Created by admin on Sat Dec 16 07:54:05 GMT 2023 , Edited by admin on Sat Dec 16 07:54:05 GMT 2023
PRIMARY
CAS
159714-85-9
Created by admin on Sat Dec 16 07:54:05 GMT 2023 , Edited by admin on Sat Dec 16 07:54:05 GMT 2023
PRIMARY