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Details

Stereochemistry ACHIRAL
Molecular Formula C36H18Cl6N12O14S4
Molecular Weight 1183.578
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,13-DICHLORO-3,10-BIS((4-((4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO)-3-SULFOPHENYL)AMINO)-4,11-TRIPHENODIOXAZINEDISULFONIC ACID

SMILES

OS(=O)(=O)C1=C(NC2=NC(Cl)=NC(Cl)=N2)C=CC(NC3=CC=C4N=C5C(Cl)=C6OC7=C(C=CC(NC8=CC(=C(NC9=NC(Cl)=NC(Cl)=N9)C=C8)S(O)(=O)=O)=C7S(O)(=O)=O)N=C6C(Cl)=C5OC4=C3S(O)(=O)=O)=C1

InChI

InChIKey=KKAYGDDJQIVWTE-UHFFFAOYSA-N
InChI=1S/C36H18Cl6N12O14S4/c37-21-24-28(68-26-16(46-24)6-8-18(30(26)72(64,65)66)44-12-2-4-14(20(10-12)70(58,59)60)48-36-53-33(41)50-34(42)54-36)22(38)23-27(21)67-25-15(45-23)5-7-17(29(25)71(61,62)63)43-11-1-3-13(19(9-11)69(55,56)57)47-35-51-31(39)49-32(40)52-35/h1-10,43-44H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,47,49,51,52)(H,48,50,53,54)

HIDE SMILES / InChI

Molecular Formula C36H18Cl6N12O14S4
Molecular Weight 1183.578
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:29:32 GMT 2023
Edited
by admin
on Sat Dec 16 11:29:32 GMT 2023
Record UNII
KYO7E9RH08
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6,13-DICHLORO-3,10-BIS((4-((4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO)-3-SULFOPHENYL)AMINO)-4,11-TRIPHENODIOXAZINEDISULFONIC ACID
Common Name English
4,11-TRIPHENODIOXAZINEDISULFONIC ACID, 6,13-DICHLORO-3,10-BIS((4-((4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO)-3-SULFOPHENYL)AMINO)-
Common Name English
Code System Code Type Description
CAS
42783-03-9
Created by admin on Sat Dec 16 11:29:32 GMT 2023 , Edited by admin on Sat Dec 16 11:29:32 GMT 2023
PRIMARY
FDA UNII
KYO7E9RH08
Created by admin on Sat Dec 16 11:29:32 GMT 2023 , Edited by admin on Sat Dec 16 11:29:32 GMT 2023
PRIMARY
PUBCHEM
88891625
Created by admin on Sat Dec 16 11:29:32 GMT 2023 , Edited by admin on Sat Dec 16 11:29:32 GMT 2023
PRIMARY