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Details

Stereochemistry ACHIRAL
Molecular Formula C30H12O9
Molecular Weight 516.4109
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOTRIJUGLONE

SMILES

OC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C4=C(C(=O)C5=CC=CC(O)=C5C4=O)C6=C3C(=O)C7=CC=CC(O)=C7C6=O

InChI

InChIKey=DNGCQXLPUZWYNB-UHFFFAOYSA-N
InChI=1S/C30H12O9/c31-13-7-1-4-10-16(13)28(37)22-19(25(10)34)23-21(27(36)11-5-2-8-14(32)17(11)29(23)38)24-20(22)26(35)12-6-3-9-15(33)18(12)30(24)39/h1-9,31-33H

HIDE SMILES / InChI

Molecular Formula C30H12O9
Molecular Weight 516.4109
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 16:08:14 GMT 2023
Edited
by admin
on Sat Dec 16 16:08:14 GMT 2023
Record UNII
2IYX6UQ9YC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOTRIJUGLONE
Common Name English
TRISJUGLONE
Common Name English
CYCLO-TRIJUGLON
Common Name English
5,6,11,12,17,18-TRINAPHTHYLENEHEXONE, 1,7,13-TRIHYDROXY-
Systematic Name English
1,7,13-TRIS(OXIDANYL)TRINAPHTHYLENE-5,6,11,12,17,18-HEXONE
Systematic Name English
CYCLO-TRIJUGLONE
Common Name English
1,7,13-TRIHYDROXY-5,6,11,12,17,18-TRINAPHTHYLENEHEXONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID401211406
Created by admin on Sat Dec 16 16:08:14 GMT 2023 , Edited by admin on Sat Dec 16 16:08:14 GMT 2023
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CAS
50838-55-6
Created by admin on Sat Dec 16 16:08:14 GMT 2023 , Edited by admin on Sat Dec 16 16:08:14 GMT 2023
PRIMARY
FDA UNII
2IYX6UQ9YC
Created by admin on Sat Dec 16 16:08:14 GMT 2023 , Edited by admin on Sat Dec 16 16:08:14 GMT 2023
PRIMARY
PUBCHEM
90473021
Created by admin on Sat Dec 16 16:08:14 GMT 2023 , Edited by admin on Sat Dec 16 16:08:14 GMT 2023
PRIMARY