5,5'-((2-Carboxy-p-phenylene)bis(iminovinylene))bis(1-ethyl-3,4-dihydro-2H-pyrrolium) diiodide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H32N4O2.2I
Molecular Weight	650.3347
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 5,5'-((2-Carboxy-p-phenylene)bis(iminovinylene))bis(1-ethyl-3,4-dihydro-2H-pyrrolium) diiodide

Structure Search

SMILES

[I-].[I-].CC[N+]1=C(CCC1)\C=C\NC2=CC=C(N\C=C\C3=[N+](CC)CCC3)C(=C2)C(O)=O

InChI

InChIKey=HDZWTYXHQYLBTI-UHFFFAOYSA-N

InChI=1S/C23H30N4O2.2HI/c1-3-26-15-5-7-19(26)11-13-24-18-9-10-22(21(17-18)23(28)29)25-14-12-20-8-6-16-27(20)4-2;;/h9-14,17H,3-8,15-16H2,1-2H3,(H,28,29);2*1H

HIDE SMILES / InChI

Molecular Formula	C23H32N4O2
Molecular Weight	396.5258
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Molecular Formula	I
Molecular Weight	126.9045
Charge	-1
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 11:56:46 GMT 2023` Edited by `admin` on `Sat Dec 16 11:56:46 GMT 2023`
Record UNII	7B3M6CP2AQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5,5'-((2-Carboxy-p-phenylene)bis(iminovinylene))bis(1-ethyl-3,4-dihydro-2H-pyrrolium) diiodide

Systematic Name

English

2H-Pyrrolium, 5,5′-[(2-carboxy-1,4-phenylene)bis(imino-2,1-ethenediyl)]bis[1-ethyl-3,4-dihydro-, iodide (1:2)

Systematic Name

English

2H-Pyrrolium, 5,5′-[(2-carboxy-1,4-phenylene)bis(imino-2,1-ethenediyl)]bis[1-ethyl-3,4-dihydro-, diiodide

Systematic Name

English

Code System Code Type Description

CAS

97403-82-2