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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H16O2S
Molecular Weight 392.469
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHOXY-2-PHENYL-3H-NAPHTHO(2,1,8-MNA)THIOXANTHEN-3-ONE

SMILES

COC1=C(C(=O)C2=CC=C3SC4=C(C=CC=C4)C5=C3C2=C1C=C5)C6=CC=CC=C6

InChI

InChIKey=AEJVUKBFJZTFCE-UHFFFAOYSA-N
InChI=1S/C26H16O2S/c1-28-26-19-12-11-17-16-9-5-6-10-20(16)29-21-14-13-18(23(19)24(17)21)25(27)22(26)15-7-3-2-4-8-15/h2-14H,1H3

HIDE SMILES / InChI

Molecular Formula C26H16O2S
Molecular Weight 392.469
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 Sat Dec 16 19:07:36 GMT 2023
Edited
by admin
on Sat Dec 16 19:07:36 GMT 2023
Record UNII
8LXD7443QB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-METHOXY-2-PHENYL-3H-NAPHTHO(2,1,8-MNA)THIOXANTHEN-3-ONE
Systematic Name English
3H-NAPHTHO(2,1,8-MNA)THIOXANTHEN-3-ONE, 1-METHOXY-2-PHENYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80189362
Created by admin on Sat Dec 16 19:07:36 GMT 2023 , Edited by admin on Sat Dec 16 19:07:36 GMT 2023
PRIMARY
PUBCHEM
14511993
Created by admin on Sat Dec 16 19:07:36 GMT 2023 , Edited by admin on Sat Dec 16 19:07:36 GMT 2023
PRIMARY
FDA UNII
8LXD7443QB
Created by admin on Sat Dec 16 19:07:36 GMT 2023 , Edited by admin on Sat Dec 16 19:07:36 GMT 2023
PRIMARY
CAS
35826-82-5
Created by admin on Sat Dec 16 19:07:36 GMT 2023 , Edited by admin on Sat Dec 16 19:07:36 GMT 2023
PRIMARY
ECHA (EC/EINECS)
252-741-6
Created by admin on Sat Dec 16 19:07:36 GMT 2023 , Edited by admin on Sat Dec 16 19:07:36 GMT 2023
PRIMARY