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Details

Stereochemistry ACHIRAL
Molecular Formula C43H36N10O17S4
Molecular Weight 1093.063
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4'-(CARBONYLBIS(IMINO-1H-PYRROLE-4,2-DIYLCARBONYLIMINO(1-METHYL-1H-PYRROLE-4,2-DIYL)CARBONYLIMINO))BIS-1,7-NAPHTHALENEDISULFONIC ACID

SMILES

CN1C=C(NC(=O)C2=CC(NC(=O)NC3=CNC(=C3)C(=O)NC4=CN(C)C(=C4)C(=O)NC5=C6C=CC(=CC6=C(C=C5)S(O)(=O)=O)S(O)(=O)=O)=CN2)C=C1C(=O)NC7=C8C=CC(=CC8=C(C=C7)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=XEDCQBYBEKNDLQ-UHFFFAOYSA-N
InChI=1S/C43H36N10O17S4/c1-52-19-23(13-35(52)41(56)50-31-7-9-37(73(65,66)67)29-15-25(71(59,60)61)3-5-27(29)31)46-39(54)33-11-21(17-44-33)48-43(58)49-22-12-34(45-18-22)40(55)47-24-14-36(53(2)20-24)42(57)51-32-8-10-38(74(68,69)70)30-16-26(72(62,63)64)4-6-28(30)32/h3-20,44-45H,1-2H3,(H,46,54)(H,47,55)(H,50,56)(H,51,57)(H2,48,49,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)

HIDE SMILES / InChI

Molecular Formula C43H36N10O17S4
Molecular Weight 1093.063
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 08:21:53 GMT 2023
Edited
by admin
on Sat Dec 16 08:21:53 GMT 2023
Record UNII
A58RV657C3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,4'-(CARBONYLBIS(IMINO-1H-PYRROLE-4,2-DIYLCARBONYLIMINO(1-METHYL-1H-PYRROLE-4,2-DIYL)CARBONYLIMINO))BIS-1,7-NAPHTHALENEDISULFONIC ACID
Systematic Name English
1,7-NAPHTHALENEDISULFONIC ACID, 4,4'-(CARBONYLBIS(IMINO-1H-PYRROLE-4,2-DIYLCARBONYLIMINO(1-METHYL-1H-PYRROLE-4,2-DIYL)CARBONYLIMINO))BIS-
Systematic Name English
NSC-651016 FREE ACID
Code English
Code System Code Type Description
PUBCHEM
11636698
Created by admin on Sat Dec 16 08:21:53 GMT 2023 , Edited by admin on Sat Dec 16 08:21:53 GMT 2023
PRIMARY
FDA UNII
A58RV657C3
Created by admin on Sat Dec 16 08:21:53 GMT 2023 , Edited by admin on Sat Dec 16 08:21:53 GMT 2023
PRIMARY
CAS
717820-71-8
Created by admin on Sat Dec 16 08:21:53 GMT 2023 , Edited by admin on Sat Dec 16 08:21:53 GMT 2023
PRIMARY