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Details

Stereochemistry ACHIRAL
Molecular Formula C31H17NO3
Molecular Weight 451.4716
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((7-OXO-7H-BENZ(DE)ANTHRACEN-3-YL)AMINO)-9,10-ANTHRACENEDIONE

SMILES

O=C1C2=CC=CC=C2C3=C4C1=CC=CC4=C(NC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O)C=C3

InChI

InChIKey=IYIHHRQMVJYLAX-UHFFFAOYSA-N
InChI=1S/C31H17NO3/c33-29-19-8-2-1-7-17(19)18-15-16-25(22-11-5-12-23(29)27(18)22)32-26-14-6-13-24-28(26)31(35)21-10-4-3-9-20(21)30(24)34/h1-16,32H

HIDE SMILES / InChI

Molecular Formula C31H17NO3
Molecular Weight 451.4716
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 Tue Apr 01 17:41:19 GMT 2025
Edited
by admin
on Tue Apr 01 17:41:19 GMT 2025
Record UNII
6PEI1ELZ2S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((7-OXO-7H-BENZ(DE)ANTHRACEN-3-YL)AMINO)-9,10-ANTHRACENEDIONE
Systematic Name English
NSC-13987
Preferred Name English
ANTHRAQUINONE, 1-((7-OXO-7H-BENZ(DE)ANTHRACEN-3-YL)AMINO)-
Systematic Name English
9,10-ANTHRACENEDIONE, 1-((7-OXO-7H-BENZ(DE)ANTHRACEN-3-YL)AMINO)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID5058858
Created by admin on Tue Apr 01 17:41:19 GMT 2025 , Edited by admin on Tue Apr 01 17:41:19 GMT 2025
PRIMARY
ECHA (EC/EINECS)
201-388-6
Created by admin on Tue Apr 01 17:41:19 GMT 2025 , Edited by admin on Tue Apr 01 17:41:19 GMT 2025
PRIMARY
NSC
13987
Created by admin on Tue Apr 01 17:41:19 GMT 2025 , Edited by admin on Tue Apr 01 17:41:19 GMT 2025
PRIMARY
FDA UNII
6PEI1ELZ2S
Created by admin on Tue Apr 01 17:41:19 GMT 2025 , Edited by admin on Tue Apr 01 17:41:19 GMT 2025
PRIMARY
CAS
81-94-7
Created by admin on Tue Apr 01 17:41:19 GMT 2025 , Edited by admin on Tue Apr 01 17:41:19 GMT 2025
PRIMARY
PUBCHEM
66496
Created by admin on Tue Apr 01 17:41:19 GMT 2025 , Edited by admin on Tue Apr 01 17:41:19 GMT 2025
PRIMARY